2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]acetamide IUPAC Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]acetamide Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS/c19-10-15-13-8-4-5-9-14(13)17(12-6-2-1-3-7-12)21-18(15)23-11-16(20)22/h1-3,6-7H,4-5,8-9,11H2,(H2,20,22)/p+1