Compound Identification
SMILES
[Br-].CCCN[C@H]1CCC2=C(C1)SC(N)=N2.C[N+]1(C)C2CC(CC1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1
InChIKey
InChIKey=FFCLGSZRYYPDBK-WOMPOVBISA-M
Formula
C29H39BrN4O4S3
Mass
683.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Amines
- Level 5 Aralkylamines
-
Subclass
Amines
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Not available
Direct Parent
Aralkylamines
Alternative Parents
2-amino-1,3-thiazoles Piperidines Morpholines N-alkylpyrrolidines Thiophenes Tetraalkylammonium salts Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Dialkyl ethers Dialkylamines Epoxides Monocarboxylic acids and derivatives Carbonyl compounds Aromatic alcohols Organic zwitterions Hydrocarbon derivatives Primary amines Organic oxides Organic bromide salts
Molecular Framework
Not available
Substituents
Aralkylamine - Morpholine - Oxazinane - Piperidine - 1,3-thiazol-2-amine - N-alkylpyrrolidine - Azole - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrolidine - Quaternary ammonium salt - Tertiary alcohol - Thiazole - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Primary amine - Organic bromide salt - Carbonyl group - Alcohol - Organic salt - Organic zwitterion - Aromatic alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
External Descriptors
Not available