4-oxidanyl-4-pyridin-1-ium-4-yl-butan-2-one

Systemtic Name: 4-oxidanyl-4-pyridin-1-ium-4-yl-butan-2-one Openeye Name: 4-hydroxy-4-pyridin-1-ium-4-yl-butan-2-one CAS Name: 4-hydroxy-4-(4-pyridin-1-iumyl)-2-butanone IUPAC Name: 4-hydroxy-4-pyridin-1-ium-4-ylbutan-2-one Traditional Name: 4-hydroxy-4-pyridin-1-ium-4-yl-butan-2-one Formula: C9H12NO2+ MolecularWeight: 166.19708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=[NH+]C=C1)O

Isomeric SMILES

CC(=O)CC(C1=CC=[NH+]C=C1)O

InChI

InChI=1S/C9H11NO2/c1-7(11)6-9(12)8-2-4-10-5-3-8/h2-5,9,12H,6H2,1H3/p+1