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

Systemtic Name: 6-hexyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Openeye Name: 6-hexyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one CAS Name: 6-hexyl-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-hexyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Traditional Name: 6-hexyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Formula: C23H40NO+ MolecularWeight: 346.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(=CC1=O)CCCCC[N+]2(CCCCC2)C

Isomeric SMILES

CCCCCCC1C=CC(=CC1=O)CCCCC[N+]2(CCCCC2)C

InChI

InChI=1S/C23H40NO/c1-3-4-5-9-14-22-16-15-21(20-23(22)25)13-8-6-10-17-24(2)18-11-7-12-19-24/h15-16,20,22H,3-14,17-19H2,1-2H3/q+1