6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Openeye Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one CAS Name: 6-methyl-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Traditional Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Formula: C18H30NO+ MolecularWeight: 276.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=CC1=O)CCCCC[N+]2(CCCCC2)C

Isomeric SMILES

CC1C=CC(=CC1=O)CCCCC[N+]2(CCCCC2)C

InChI

InChI=1S/C18H30NO/c1-16-10-11-17(15-18(16)20)9-5-3-6-12-19(2)13-7-4-8-14-19/h10-11,15-16H,3-9,12-14H2,1-2H3/q+1