3-(4-chlorophenyl)sulfanyl-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-3-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chlorophenyl)sulfanyl-3-methyl-butanamide CAS Name: 3-[(4-chlorophenyl)thio]-3-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-chlorophenyl)sulfanyl-3-methylbutanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-chlorophenyl)thio]-3-methyl-butyramide Formula: C23H30ClN2OS+ MolecularWeight: 418.0151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2OS/c1-23(2,28-21-10-8-19(24)9-11-21)16-22(27)25-20-12-14-26(15-13-20)17-18-6-4-3-5-7-18/h3-11,20H,12-17H2,1-2H3,(H,25,27)/p+1