4-[2-(1-methylquinolin-1-ium-3-yl)ethylamino]-4-oxidanylidene-butanoic acid iodide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)CCNC(=O)CCC(=O)O.[I-]

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)CCNC(=O)CCC(=O)O.[I-]

InChI

InChI=1S/C16H18N2O3.HI/c1-18-11-12(10-13-4-2-3-5-14(13)18)8-9-17-15(19)6-7-16(20)21;/h2-5,10-11H,6-9H2,1H3,(H-,17,19,20,21);1H