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

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorobenzoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorobenzoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorobenzoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]nipecotamide Formula: C25H31FN3O2+ MolecularWeight: 424.530943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3O2/c26-22-12-10-20(11-13-22)25(31)29-16-6-9-21(18-29)24(30)27-17-23(28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,7-8,10-13,21,23H,4-6,9,14-18H2,(H,27,30)/p+1/t21-,23-/m0/s1