2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-chlorobenzyl)thio]acetamide Formula: C21H26ClN2OS+ MolecularWeight: 389.96194

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2OS/c22-19-8-6-18(7-9-19)15-26-16-21(25)23-20-10-12-24(13-11-20)14-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,23,25)/p+1