Compound Identification
SMILES
[I-].CC1=C(C)[N+](CCCC2=CNC3=CC=CC=C23)=CS1
InChIKey
InChIKey=ZMQMPAKWOFZTBY-UHFFFAOYSA-M
Formula
C16H19IN2S
Mass
398.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Tryptamines and derivatives
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Tryptamines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tryptamines and derivatives
Alternative Parents
3-alkylindoles 4,5-disubstituted thiazoles Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triptan - 3-alkylindole - Indole - 4,5-disubstituted 1,3-thiazole - Benzenoid - Substituted pyrrole - Azole - Heteroaromatic compound - Pyrrole - Thiazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic iodide salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
External Descriptors
Not available