methyl 6-[(1-ethyl-2-methyl-quinolin-1-ium-6-yl)amino]-6-oxidanylidene-hexanoate iodide

Systemtic Name: methyl 6-[(1-ethyl-2-methyl-quinolin-1-ium-6-yl)amino]-6-oxidanylidene-hexanoate iodide Openeye Name: methyl 6-[(1-ethyl-2-methyl-quinolin-1-ium-6-yl)amino]-6-oxo-hexanoate iodide CAS Name: 6-[(1-ethyl-2-methyl-6-quinolin-1-iumyl)amino]-6-oxohexanoic acid methyl ester iodide IUPAC Name: methyl 6-[(1-ethyl-2-methylquinolin-1-ium-6-yl)amino]-6-oxohexanoate iodide Traditional Name: 6-[(1-ethyl-2-methyl-quinolin-1-ium-6-yl)amino]-6-keto-hexanoic acid methyl ester iodide Formula: C19H25IN2O3 MolecularWeight: 456.31787

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)CCCCC(=O)OC)C.[I-]

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)CCCCC(=O)OC)C.[I-]

InChI

InChI=1S/C19H24N2O3.HI/c1-4-21-14(2)9-10-15-13-16(11-12-17(15)21)20-18(22)7-5-6-8-19(23)24-3;/h9-13H,4-8H2,1-3H3;1H