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

Systemtic Name: 3-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propyl 2-[4-(2-methylpropyl)phenyl]propanoate iodide Openeye Name: 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propyl 2-(4-isobutylphenyl)propanoate iodide CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid 3-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propyl ester iodide IUPAC Name: 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propyl 2-[4-(2-methylpropyl)phenyl]propanoate iodide Traditional Name: 2-(4-isobutylphenyl)propionic acid 3-[(1-methylpyridin-1-ium-3-carbonyl)amino]propyl 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)OCCCNC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3.HI/c1-17(2)15-19-8-10-20(11-9-19)18(3)23(27)28-14-6-12-24-22(26)21-7-5-13-25(4)16-21;/h5,7-11,13,16-18H,6,12,14-15H2,1-4H3;1H