5,5-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)cyclohex-2-en-1-one iodide

Systemtic Name: 5,5-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)cyclohex-2-en-1-one iodide Openeye Name: 5,5-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)cyclohex-2-en-1-one iodide CAS Name: 5,5-dimethyl-3-(1-methyl-1-pyrrolidin-1-iumyl)-1-cyclohex-2-enone iodide IUPAC Name: 5,5-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)cyclohex-2-en-1-one iodide Traditional Name: 5,5-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)cyclohex-2-en-1-one iodide Formula: C13H22INO MolecularWeight: 335.22435

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)[N+]2(CCCC2)C)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=O)C1)[N+]2(CCCC2)C)C.[I-]

InChI

InChI=1S/C13H22NO.HI/c1-13(2)9-11(8-12(15)10-13)14(3)6-4-5-7-14;/h8H,4-7,9-10H2,1-3H3;1H/q+1;/p-1