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

Systemtic Name: 2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate iodide Openeye Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-(4-isobutylphenyl)propanoate iodide CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]ethyl ester iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate iodide Traditional Name: 2-(4-isobutylphenyl)propionic acid 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl ester iodide Formula: C22H29IN2O3 MolecularWeight: 496.38173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3.HI/c1-16(2)14-18-7-9-19(10-8-18)17(3)22(26)27-13-11-23-21(25)20-6-5-12-24(4)15-20;/h5-10,12,15-17H,11,13-14H2,1-4H3;1H