1-(1-oxidanidyl-2-propyl-pyridin-1-ium-3-yl)butan-1-one

Systemtic Name: 1-(1-oxidanidyl-2-propyl-pyridin-1-ium-3-yl)butan-1-one Openeye Name: 1-(1-oxido-2-propyl-pyridin-1-ium-3-yl)butan-1-one CAS Name: 1-(1-oxido-2-propyl-3-pyridin-1-iumyl)-1-butanone IUPAC Name: 1-(1-oxido-2-propylpyridin-1-ium-3-yl)butan-1-one Traditional Name: 1-(1-oxido-2-propyl-pyridin-1-ium-3-yl)butan-1-one Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=[N+]1[O-])C(=O)CCC

Isomeric SMILES

CCCC1=C(C=CC=[N+]1[O-])C(=O)CCC

InChI

InChI=1S/C12H17NO2/c1-3-6-11-10(12(14)7-4-2)8-5-9-13(11)15/h5,8-9H,3-4,6-7H2,1-2H3