1-(phenylsulfonyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(1-isopropylpiperidin-1-ium-4-yl)isonipecotamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-16(2)22-12-10-18(11-13-22)21-20(24)17-8-14-23(15-9-17)27(25,26)19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,21,24)/p+1