(2R)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(benzenesulfonyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-(benzenesulfonyl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(benzenesulfonyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-besyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide Formula: C23H32N3O3S2+ MolecularWeight: 462.64848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c1-18-11-14-25(15-12-18)21(22-10-6-16-30-22)17-24-23(27)20-9-5-13-26(20)31(28,29)19-7-3-2-4-8-19/h2-4,6-8,10,16,18,20-21H,5,9,11-15,17H2,1H3,(H,24,27)/p+1/t20-,21-/m1/s1