3-[(4-chlorophenyl)sulfanylmethyl]-N-(1-ethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(1-ethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(1-ethylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(1-ethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(1-ethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(1-ethylpiperidin-1-ium-4-yl)benzamide Formula: C21H26ClN2OS+ MolecularWeight: 389.96194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2OS/c1-2-24-12-10-19(11-13-24)23-21(25)17-5-3-4-16(14-17)15-26-20-8-6-18(22)7-9-20/h3-9,14,19H,2,10-13,15H2,1H3,(H,23,25)/p+1