[(2R)-6-azaniumyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]azanium

Systemtic Name: [(2R)-6-azaniumyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]azanium Openeye Name: [(5R)-5-azaniumyl-6-(4-nitroanilino)-6-oxo-hexyl]ammonium CAS Name: [(2R)-6-ammonio-1-(4-nitroanilino)-1-oxohexan-2-yl]ammonium IUPAC Name: [(2R)-6-azaniumyl-1-(4-nitroanilino)-1-oxohexan-2-yl]azanium Traditional Name: [(5R)-5-ammonio-6-keto-6-(4-nitroanilino)hexyl]ammonium Formula: C12H20N4O3+2 MolecularWeight: 268.3122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCCC[NH3+])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@@H](CCCC[NH3+])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)/p+2/t11-/m1/s1