(phenylmethyl) 2-[(1-methylquinolin-1-ium-3-yl)carbonylamino]butanoate iodide

Systemtic Name: (phenylmethyl) 2-[(1-methylquinolin-1-ium-3-yl)carbonylamino]butanoate iodide Openeye Name: benzyl 2-[(1-methylquinolin-1-ium-3-carbonyl)amino]butanoate iodide CAS Name: 2-[[(1-methyl-3-quinolin-1-iumyl)-oxomethyl]amino]butanoic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 2-[(1-methylquinolin-1-ium-3-carbonyl)amino]butanoate iodide Traditional Name: 2-[(1-methylquinolin-1-ium-3-carbonyl)amino]butyric acid benzyl ester iodide Formula: C22H23IN2O3 MolecularWeight: 490.33409

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3[N+](=C2)C.[I-]

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3[N+](=C2)C.[I-]

InChI

InChI=1S/C22H22N2O3.HI/c1-3-19(22(26)27-15-16-9-5-4-6-10-16)23-21(25)18-13-17-11-7-8-12-20(17)24(2)14-18;/h4-14,19H,3,15H2,1-2H3;1H