N-(2-phenylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(2-phenylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(2-phenylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[2-(phenylthio)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(2-phenylsulfanylethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[2-(phenylthio)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C25H27N2OS+ MolecularWeight: 403.55968

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c28-25(26-15-17-29-24-8-2-1-3-9-24)22-12-10-20(11-13-22)18-27-16-14-21-6-4-5-7-23(21)19-27/h1-13H,14-19H2,(H,26,28)/p+1