N-(1-ethylpiperidin-1-ium-4-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(1-ethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(1-ethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H29N3O3S/c1-2-21-12-10-17(11-13-21)20-19(23)16-8-14-22(15-9-16)26(24,25)18-6-4-3-5-7-18/h3-7,16-17H,2,8-15H2,1H3,(H,20,23)/p+1