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methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium

methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name:methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium
Openeye Name:(4-isopropylphenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridyl)methyl]ammonium
CAS Name:methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]-[(4-propan-2-ylphenyl)methyl]ammonium
IUPAC Name:methyl-[(5-nitro-2-oxopyridin-1-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium
Traditional Name:(4-isopropylbenzyl)-[(2-keto-5-nitro-1-pyridyl)methyl]-methyl-ammonium
Formula: C17H22N3O3+
MolecularWeight: 316.37488
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H21N3O3/c1-13(2)15-6-4-14(5-7-15)10-18(3)12-19-11-16(20(22)23)8-9-17(19)21/h4-9,11,13H,10,12H2,1-3H3/p+1


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