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

Systemtic Name: N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]acetamide Formula: C19H19BrN3OS+ MolecularWeight: 417.34266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)NC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)SCC(=O)NC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C19H18BrN3OS/c1-12-15-4-2-3-5-16(15)17(10-21)19(22-12)25-11-18(24)23-14-8-6-13(20)7-9-14/h6-9H,2-5,11H2,1H3,(H,23,24)/p+1