3-acetamido-4-(4-methylphenyl)sulfanyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Openeye Name: 3-acetamido-4-(p-tolylsulfanyl)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide IUPAC Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Traditional Name: 3-acetamido-4-(p-tolylthio)-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Formula: C28H32N3O2S+ MolecularWeight: 474.63758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCC4=CC=CC=C4C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCC4=CC=CC=C4C3)NC(=O)C

InChI

InChI=1S/C28H31N3O2S/c1-20-8-11-25(12-9-20)34-27-13-10-23(18-26(27)30-21(2)32)28(33)29-15-5-16-31-17-14-22-6-3-4-7-24(22)19-31/h3-4,6-13,18H,5,14-17,19H2,1-2H3,(H,29,33)(H,30,32)/p+1