[(2S)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-hydroxy-propyl]-methyl-ammonium Formula: C9H17N4O3+ MolecularWeight: 229.25628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C[NH2+]C)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[C@H](C[NH2+]C)O)C)[N+](=O)[O-]

InChI

InChI=1S/C9H16N4O3/c1-6-9(13(15)16)7(2)12(11-6)5-8(14)4-10-3/h8,10,14H,4-5H2,1-3H3/p+1/t8-/m0/s1