ethyl 4-methyl-2-[(1-methylquinolin-1-ium-3-yl)carbonylamino]pentanoate iodide

Systemtic Name: ethyl 4-methyl-2-[(1-methylquinolin-1-ium-3-yl)carbonylamino]pentanoate iodide Openeye Name: ethyl 4-methyl-2-[(1-methylquinolin-1-ium-3-carbonyl)amino]pentanoate iodide CAS Name: 4-methyl-2-[[(1-methyl-3-quinolin-1-iumyl)-oxomethyl]amino]pentanoic acid ethyl ester iodide IUPAC Name: ethyl 4-methyl-2-[(1-methylquinolin-1-ium-3-carbonyl)amino]pentanoate iodide Traditional Name: 4-methyl-2-[(1-methylquinolin-1-ium-3-carbonyl)amino]valeric acid ethyl ester iodide Formula: C19H25IN2O3 MolecularWeight: 456.31787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C1=CC2=CC=CC=C2[N+](=C1)C.[I-]

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC(=O)C1=CC2=CC=CC=C2[N+](=C1)C.[I-]

InChI

InChI=1S/C19H24N2O3.HI/c1-5-24-19(23)16(10-13(2)3)20-18(22)15-11-14-8-6-7-9-17(14)21(4)12-15;/h6-9,11-13,16H,5,10H2,1-4H3;1H