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

Systemtic Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Openeye Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one CAS Name: 6-butyl-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone IUPAC Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Traditional Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one Formula: C21H36NO+ MolecularWeight: 318.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC(=CC1=O)CCCCC[N+]2(CCCCC2)C

Isomeric SMILES

CCCCC1C=CC(=CC1=O)CCCCC[N+]2(CCCCC2)C

InChI

InChI=1S/C21H36NO/c1-3-4-12-20-14-13-19(18-21(20)23)11-7-5-8-15-22(2)16-9-6-10-17-22/h13-14,18,20H,3-12,15-17H2,1-2H3/q+1