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

Systemtic Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Openeye Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide CAS Name: 6-methyl-3-[5-(1-methyl-1-piperidin-1-iumyl)pentyl]-1-cyclohexa-2,4-dienone iodide IUPAC Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Traditional Name: 6-methyl-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide Formula: C18H30INO MolecularWeight: 403.34137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30NO.HI/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;1H/q+1;/p-1