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

Systemtic Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Openeye Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide CAS Name: 6-butyl-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone iodide IUPAC Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Traditional Name: 6-butyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Formula: C21H36INO MolecularWeight: 445.42111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO.HI/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;1H/q+1;/p-1