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

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]nipecotamide Formula: C22H29FN3O3S2+ MolecularWeight: 466.612363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H28FN3O3S2/c23-18-7-9-19(10-8-18)31(28,29)26-13-3-5-17(16-26)22(27)24-15-20(21-6-4-14-30-21)25-11-1-2-12-25/h4,6-10,14,17,20H,1-3,5,11-13,15-16H2,(H,24,27)/p+1/t17-,20+/m0/s1