6-[1-(2,6-dimethyl-1-oxidanyl-pyridin-1-ium-4-yl)-3-methyl-butoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[1-(2,6-dimethyl-1-oxidanyl-pyridin-1-ium-4-yl)-3-methyl-butoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[1-(1-hydroxy-2,6-dimethyl-pyridin-1-ium-4-yl)-3-methyl-butoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[1-(1-hydroxy-2,6-dimethyl-4-pyridin-1-iumyl)-3-methylbutoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[1-(1-hydroxy-2,6-dimethylpyridin-1-ium-4-yl)-3-methylbutoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[1-(1-hydroxy-2,6-dimethyl-pyridin-1-ium-4-yl)-3-methyl-butoxy]cyclohexa-2,4-dien-1-one Formula: C18H24NO3+ MolecularWeight: 302.38806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1O)C)C(CC(C)C)OC2C=CC=CC2=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1O)C)C(CC(C)C)OC2C=CC=CC2=O

InChI

InChI=1S/C18H24NO3/c1-12(2)9-18(22-17-8-6-5-7-16(17)20)15-10-13(3)19(21)14(4)11-15/h5-8,10-12,17-18,21H,9H2,1-4H3/q+1