N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-4-methylsulfonyl-benzamide Openeye Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-4-methylsulfonyl-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-4-methylsulfonylbenzamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]benzamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O3S/c1-17-11-13-24(14-12-17)16-19-5-3-18(4-6-19)15-23-22(25)20-7-9-21(10-8-20)28(2,26)27/h3-10,17H,11-16H2,1-2H3,(H,23,25)/p+1