(5-nitropyridin-2-yl)-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]azanium

Systemtic Name: (5-nitropyridin-2-yl)-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-2-piperazin-1-yl-ethyl]-(5-nitro-2-pyridyl)ammonium CAS Name: (5-nitro-2-pyridinyl)-[(2S)-1-oxo-1-(1-piperazinyl)propan-2-yl]ammonium IUPAC Name: (5-nitropyridin-2-yl)-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-piperazino-ethyl]-(5-nitro-2-pyridyl)ammonium Formula: C12H18N5O3+ MolecularWeight: 280.30302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)[NH2+]C2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)[NH2+]C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O3/c1-9(12(18)16-6-4-13-5-7-16)15-11-3-2-10(8-14-11)17(19)20/h2-3,8-9,13H,4-7H2,1H3,(H,14,15)/p+1/t9-/m0/s1