N-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(3S)-1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(3-fluorophenyl)-5-oxo-3-pyrrolidinyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(3S)-1-(3-fluorophenyl)-5-keto-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3CC(=O)N(C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)N[C@H]3CC(=O)N(C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H25FN4O2/c23-18-7-4-8-20(13-18)27-16-19(14-21(27)28)24-22(29)26-11-9-25(10-12-26)15-17-5-2-1-3-6-17/h1-8,13,19H,9-12,14-16H2,(H,24,29)/p+1/t19-/m0/s1