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

Systemtic Name: 4-methyl-N-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]-4-methyl-piperazin-4-ium-1-carboxamide Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2/c1-18-7-9-19(10-8-18)16(22)17-13-11-15(21)20(12-13)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,22)/p+1/t13-/m0/s1