N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-5-mesyl-2-methyl-benzamide Formula: C21H26ClN2O3S+ MolecularWeight: 421.96074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-15-3-8-19(28(2,26)27)13-20(15)21(25)23-18-9-11-24(12-10-18)14-16-4-6-17(22)7-5-16/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)/p+1