N-(3-nitrophenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-(3-nitrophenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(3-nitrophenyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-(3-nitrophenyl)-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(3-nitrophenyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: 4-keto-N-(3-nitrophenyl)-4-piperazin-4-ium-1-yl-butyramide Formula: C14H19N4O4+ MolecularWeight: 307.32506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4/c19-13(4-5-14(20)17-8-6-15-7-9-17)16-11-2-1-3-12(10-11)18(21)22/h1-3,10,15H,4-9H2,(H,16,19)/p+1