[4-[4-(1-methylpiperidin-1-ium-1-yl)butyl]phenyl] propanoate iodide

Systemtic Name: [4-[4-(1-methylpiperidin-1-ium-1-yl)butyl]phenyl] propanoate iodide Openeye Name: [4-[4-(1-methylpiperidin-1-ium-1-yl)butyl]phenyl] propanoate iodide CAS Name: propanoic acid [4-[4-(1-methyl-1-piperidin-1-iumyl)butyl]phenyl] ester iodide IUPAC Name: [4-[4-(1-methylpiperidin-1-ium-1-yl)butyl]phenyl] propanoate iodide Traditional Name: propionic acid [4-[4-(1-methylpiperidin-1-ium-1-yl)butyl]phenyl] ester iodide Formula: C19H30INO2 MolecularWeight: 431.35147

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)CCCC[N+]2(CCCCC2)C.[I-]

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)CCCC[N+]2(CCCCC2)C.[I-]

InChI

InChI=1S/C19H30NO2.HI/c1-3-19(21)22-18-12-10-17(11-13-18)9-5-8-16-20(2)14-6-4-7-15-20;/h10-13H,3-9,14-16H2,1-2H3;1H/q+1;/p-1