methyl-[(2S)-3-(4-nitroimidazol-1-yl)-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-(4-nitroimidazol-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-nitroimidazol-1-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(4-nitro-1-imidazolyl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-nitroimidazol-1-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-nitroimidazol-1-yl)propyl]-methyl-ammonium Formula: C7H13N4O3+ MolecularWeight: 201.20312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1C=C(N=C1)[N+](=O)[O-])O

Isomeric SMILES

C[NH2+]C[C@@H](CN1C=C(N=C1)[N+](=O)[O-])O

InChI

InChI=1S/C7H12N4O3/c1-8-2-6(12)3-10-4-7(9-5-10)11(13)14/h4-6,8,12H,2-3H2,1H3/p+1/t6-/m0/s1