N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C31H31N2OS+ MolecularWeight: 479.65564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C31H30N2OS/c1-23-19-25(22-35-29-9-3-2-4-10-29)13-16-30(23)32-31(34)27-14-11-24(12-15-27)20-33-18-17-26-7-5-6-8-28(26)21-33/h2-16,19H,17-18,20-22H2,1H3,(H,32,34)/p+1