1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isonipecotamide Formula: C25H33FN3O4S+ MolecularWeight: 490.610623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[NH+]4CCCC4

InChI

InChI=1S/C25H32FN3O4S/c1-33-22-6-4-5-20(17-22)24(28-13-2-3-14-28)18-27-25(30)19-11-15-29(16-12-19)34(31,32)23-9-7-21(26)8-10-23/h4-10,17,19,24H,2-3,11-16,18H2,1H3,(H,27,30)/p+1/t24-/m0/s1