N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[3-[mesyl(methyl)amino]phenyl]piperidin-1-ium-4-carboxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC(=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-23(28(2,26)27)20-10-6-9-19(15-20)22-21(25)18-11-13-24(14-12-18)16-17-7-4-3-5-8-17/h3-10,15,18H,11-14,16H2,1-2H3,(H,22,25)/p+1