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

Systemtic Name: N-[(3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(3S)-1-(4-fluorophenyl)-5-oxo-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-4-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-1-(4-fluorophenyl)-5-keto-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Formula: C16H22FN4O2+ MolecularWeight: 321.369883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H21FN4O2/c1-19-6-8-20(9-7-19)16(23)18-13-10-15(22)21(11-13)14-4-2-12(17)3-5-14/h2-5,13H,6-11H2,1H3,(H,18,23)/p+1/t13-/m0/s1