1-(4-fluorophenyl)carbonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(4-fluorobenzoyl)isonipecotamide Formula: C24H29FN3O2+ MolecularWeight: 410.504363

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C24H28FN3O2/c25-21-8-6-20(7-9-21)24(30)28-14-10-19(11-15-28)23(29)26-22-12-13-27(17-22)16-18-4-2-1-3-5-18/h1-9,19,22H,10-17H2,(H,26,29)/p+1/t22-/m0/s1