2-methyl-1-(1-oxidanidylpyridin-1-ium-4-yl)butan-1-one

Systemtic Name: 2-methyl-1-(1-oxidanidylpyridin-1-ium-4-yl)butan-1-one Openeye Name: 2-methyl-1-(1-oxidopyridin-1-ium-4-yl)butan-1-one CAS Name: 2-methyl-1-(1-oxido-4-pyridin-1-iumyl)-1-butanone IUPAC Name: 2-methyl-1-(1-oxidopyridin-1-ium-4-yl)butan-1-one Traditional Name: 2-methyl-1-(1-oxidopyridin-1-ium-4-yl)butan-1-one Formula: C10H13NO2 MolecularWeight: 179.21572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=CC=[N+](C=C1)[O-]

Isomeric SMILES

CCC(C)C(=O)C1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C10H13NO2/c1-3-8(2)10(12)9-4-6-11(13)7-5-9/h4-8H,3H2,1-2H3