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

Systemtic Name: N-[4-(phenylsulfanylmethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[4-(phenylsulfanylmethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[4-[(phenylthio)methyl]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[4-(phenylsulfanylmethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[4-[(phenylthio)methyl]phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C30H29N2OS+ MolecularWeight: 465.62906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CSC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CSC5=CC=CC=C5

InChI

InChI=1S/C30H28N2OS/c33-30(31-28-16-12-24(13-17-28)22-34-29-8-2-1-3-9-29)26-14-10-23(11-15-26)20-32-19-18-25-6-4-5-7-27(25)21-32/h1-17H,18-22H2,(H,31,33)/p+1