(2-methyl-1-oxidanyl-propan-2-yl)-[2-[3-[(4-nitrophenyl)amino]propylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-methyl-1-oxidanyl-propan-2-yl)-[2-[3-[(4-nitrophenyl)amino]propylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[2-[3-(4-nitroanilino)propylamino]-2-oxo-ethyl]ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-[2-[3-(4-nitroanilino)propylamino]-2-oxoethyl]ammonium IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-[2-[3-(4-nitroanilino)propylamino]-2-oxoethyl]azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-[2-keto-2-[3-(4-nitroanilino)propylamino]ethyl]ammonium Formula: C15H25N4O4+ MolecularWeight: 325.3834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC(=O)NCCCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CO)[NH2+]CC(=O)NCCCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O4/c1-15(2,11-20)18-10-14(21)17-9-3-8-16-12-4-6-13(7-5-12)19(22)23/h4-7,16,18,20H,3,8-11H2,1-2H3,(H,17,21)/p+1