3-(4-methylphenyl)propyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethanoate iodide

Systemtic Name: 3-(4-methylphenyl)propyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethanoate iodide Openeye Name: 3-(p-tolyl)propyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide CAS Name: 2-(1-methyl-1-pyrrolidin-1-iumyl)acetic acid 3-(4-methylphenyl)propyl ester iodide IUPAC Name: 3-(4-methylphenyl)propyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)acetic acid 3-(p-tolyl)propyl ester iodide Formula: C17H26INO2 MolecularWeight: 403.29831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26NO2.HI/c1-15-7-9-16(10-8-15)6-5-13-20-17(19)14-18(2)11-3-4-12-18;/h7-10H,3-6,11-14H2,1-2H3;1H/q+1;/p-1