4-(1-methylpyridin-1-ium-3-yl)-4-oxidanyl-but-3-en-2-one

Systemtic Name: 4-(1-methylpyridin-1-ium-3-yl)-4-oxidanyl-but-3-en-2-one Openeye Name: 4-hydroxy-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one CAS Name: 4-hydroxy-4-(1-methyl-3-pyridin-1-iumyl)-3-buten-2-one IUPAC Name: 4-hydroxy-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one Traditional Name: 4-hydroxy-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one Formula: C10H12NO2+ MolecularWeight: 178.20778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO2/c1-8(12)6-10(13)9-4-3-5-11(2)7-9/h3-7H,1-2H3/p+1