N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide iodide

Systemtic Name: N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide iodide Openeye Name: 2-(4-isobutylphenyl)-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]propanamide iodide CAS Name: N-[3-(1-methyl-1-piperidin-1-iumyl)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide iodide IUPAC Name: N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide iodide Traditional Name: 2-(4-isobutylphenyl)-N-[3-(1-methylpiperidin-1-ium-1-yl)propyl]propionamide iodide Formula: C22H37IN2O MolecularWeight: 472.44645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCC[N+]2(CCCCC2)C.[I-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCCC[N+]2(CCCCC2)C.[I-]

InChI

InChI=1S/C22H36N2O.HI/c1-18(2)17-20-9-11-21(12-10-20)19(3)22(25)23-13-8-16-24(4)14-6-5-7-15-24;/h9-12,18-19H,5-8,13-17H2,1-4H3;1H