methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: methyl-[(5-nitro-2-oxo-1-pyridyl)methyl]-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: methyl-[(5-nitro-2-oxopyridin-1-yl)methyl]-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: (2-keto-5-nitro-1-pyridyl)methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C12H19N4O4+ MolecularWeight: 283.30366

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CN1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C[NH+](C)CN1C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4/c1-3-6-13-11(17)8-14(2)9-15-7-10(16(19)20)4-5-12(15)18/h4-5,7H,3,6,8-9H2,1-2H3,(H,13,17)/p+1