[(5,5-dimethyl-6-oxidanylidene-heptyl)amino]-dimethyl-[3-(2-nitroimidazol-1-yl)propanoyl]azanium

Systemtic Name: [(5,5-dimethyl-6-oxidanylidene-heptyl)amino]-dimethyl-[3-(2-nitroimidazol-1-yl)propanoyl]azanium Openeye Name: [(5,5-dimethyl-6-oxo-heptyl)amino]-dimethyl-[3-(2-nitroimidazol-1-yl)propanoyl]ammonium CAS Name: [(5,5-dimethyl-6-oxoheptyl)amino]-dimethyl-[3-(2-nitro-1-imidazolyl)-1-oxopropyl]ammonium IUPAC Name: [(5,5-dimethyl-6-oxoheptyl)amino]-dimethyl-[3-(2-nitroimidazol-1-yl)propanoyl]azanium Traditional Name: [(6-keto-5,5-dimethyl-heptyl)amino]-dimethyl-[3-(2-nitroimidazol-1-yl)propanoyl]ammonium Formula: C17H30N5O4+ MolecularWeight: 368.4512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)CCCCN[N+](C)(C)C(=O)CCN1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C)(C)CCCCN[N+](C)(C)C(=O)CCN1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C17H30N5O4/c1-14(23)17(2,3)9-6-7-10-19-22(4,5)15(24)8-12-20-13-11-18-16(20)21(25)26/h11,13,19H,6-10,12H2,1-5H3/q+1