cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-2-oxo-1-pyridyl)methyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-2-oxo-1-pyridinyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(5-nitro-2-oxopyridin-1-yl)methyl]azanium Traditional Name: cyclopropyl-[(2-keto-5-nitro-1-pyridyl)methyl]-p-anisyl-ammonium Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CN2C=C(C=CC2=O)[N+](=O)[O-])C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CN2C=C(C=CC2=O)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C17H19N3O4/c1-24-16-7-2-13(3-8-16)10-18(14-4-5-14)12-19-11-15(20(22)23)6-9-17(19)21/h2-3,6-9,11,14H,4-5,10,12H2,1H3/p+1