(1,1-dimethylpyrrolidin-1-ium-3-yl)methyl 3-methylbut-2-enoate iodide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl)methyl 3-methylbut-2-enoate iodide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl)methyl 3-methylbut-2-enoate iodide CAS Name: 3-methyl-2-butenoic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl)methyl ester iodide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl)methyl 3-methylbut-2-enoate iodide Traditional Name: 3-methylbut-2-enoic acid (1,1-dimethylpyrrolidin-1-ium-3-yl)methyl ester iodide Formula: C12H22INO2 MolecularWeight: 339.21305

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC1CC[N+](C1)(C)C)C.[I-]

Isomeric SMILES

CC(=CC(=O)OCC1CC[N+](C1)(C)C)C.[I-]

InChI

InChI=1S/C12H22NO2.HI/c1-10(2)7-12(14)15-9-11-5-6-13(3,4)8-11;/h7,11H,5-6,8-9H2,1-4H3;1H/q+1;/p-1