N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]isonipecotamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H31N3O4S/c27-23(24-18-21(22-10-7-17-30-22)25-13-5-2-6-14-25)19-11-15-26(16-12-19)31(28,29)20-8-3-1-4-9-20/h1,3-4,7-10,17,19,21H,2,5-6,11-16,18H2,(H,24,27)/p+1/t21-/m1/s1