1-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate iodide

Systemtic Name: 1-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate iodide Openeye Name: [1-methyl-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl] 2-(4-isobutylphenyl)propanoate iodide CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 1-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propan-2-yl ester iodide IUPAC Name: 1-[(1-methylpyridin-1-ium-3-carbonyl)amino]propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate iodide Traditional Name: 2-(4-isobutylphenyl)propionic acid [1-methyl-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl] ester iodide Formula: C23H31IN2O3 MolecularWeight: 510.40831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC(C)CNC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC(C)CNC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C23H30N2O3.HI/c1-16(2)13-19-8-10-20(11-9-19)18(4)23(27)28-17(3)14-24-22(26)21-7-6-12-25(5)15-21;/h6-12,15-18H,13-14H2,1-5H3;1H