N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)isonipecotamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-21(2,23-13-7-4-8-14-23)17-22-20(25)18-11-15-24(16-12-18)28(26,27)19-9-5-3-6-10-19/h3,5-6,9-10,18H,4,7-8,11-17H2,1-2H3,(H,22,25)/p+1