N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-3-(methylsulfonylamino)benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-3-(methylsulfonylamino)benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(methanesulfonamido)-4-methyl-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(methanesulfonamido)-4-methylbenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(methanesulfonamido)-4-methylbenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(methanesulfonamido)-4-methyl-benzamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-15-3-6-17(13-20(15)24-29(2,27)28)21(26)23-19-9-11-25(12-10-19)14-16-4-7-18(22)8-5-16/h3-8,13,19,24H,9-12,14H2,1-2H3,(H,23,26)/p+1