4-[(2-ethyl-1-methyl-quinolin-1-ium-3-yl)amino]-4-oxidanylidene-butanoic acid iodide

Systemtic Name: 4-[(2-ethyl-1-methyl-quinolin-1-ium-3-yl)amino]-4-oxidanylidene-butanoic acid iodide Openeye Name: 4-[(2-ethyl-1-methyl-quinolin-1-ium-3-yl)amino]-4-oxo-butanoic acid iodide CAS Name: 4-[(2-ethyl-1-methyl-3-quinolin-1-iumyl)amino]-4-oxobutanoic acid iodide IUPAC Name: 4-[(2-ethyl-1-methylquinolin-1-ium-3-yl)amino]-4-oxobutanoic acid iodide Traditional Name: 4-[(2-ethyl-1-methyl-quinolin-1-ium-3-yl)amino]-4-keto-butyric acid iodide Formula: C16H19IN2O3 MolecularWeight: 414.23813

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2C=C1NC(=O)CCC(=O)O)C.[I-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2C=C1NC(=O)CCC(=O)O)C.[I-]

InChI

InChI=1S/C16H18N2O3.HI/c1-3-13-12(17-15(19)8-9-16(20)21)10-11-6-4-5-7-14(11)18(13)2;/h4-7,10H,3,8-9H2,1-2H3,(H-,17,19,20,21);1H