1-[(3S)-1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S)-1-(3-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(3-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-2,5-diketo-1-(3-nitrophenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C16H19N4O5+ MolecularWeight: 347.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)[C@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c17-15(22)10-4-6-18(7-5-10)13-9-14(21)19(16(13)23)11-2-1-3-12(8-11)20(24)25/h1-3,8,10,13H,4-7,9H2,(H2,17,22)/p+1/t13-/m0/s1