4-[3-ethanoyl-4-methyl-1-(1-methylpyridin-1-ium-4-yl)-4-oxidanyl-cyclohexyl]butan-2-one

Systemtic Name: 4-[3-ethanoyl-4-methyl-1-(1-methylpyridin-1-ium-4-yl)-4-oxidanyl-cyclohexyl]butan-2-one Openeye Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methylpyridin-1-ium-4-yl)cyclohexyl]butan-2-one CAS Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methyl-4-pyridin-1-iumyl)cyclohexyl]-2-butanone IUPAC Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methylpyridin-1-ium-4-yl)cyclohexyl]butan-2-one Traditional Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methylpyridin-1-ium-4-yl)cyclohexyl]butan-2-one Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(CCC(C(C1)C(=O)C)(C)O)C2=CC=[N+](C=C2)C

Isomeric SMILES

CC(=O)CCC1(CCC(C(C1)C(=O)C)(C)O)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C19H28NO3/c1-14(21)5-8-19(16-6-11-20(4)12-7-16)10-9-18(3,23)17(13-19)15(2)22/h6-7,11-12,17,23H,5,8-10,13H2,1-4H3/q+1