ethyl 2-(2-methylpropoxy)-1,2-bis(oxidanyl)quinolin-1-ium-1-carboxylate

Systemtic Name: ethyl 2-(2-methylpropoxy)-1,2-bis(oxidanyl)quinolin-1-ium-1-carboxylate Openeye Name: ethyl 1,2-dihydroxy-2-isobutoxy-quinolin-1-ium-1-carboxylate CAS Name: 1,2-dihydroxy-2-(2-methylpropoxy)-1-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1,2-dihydroxy-2-(2-methylpropoxy)quinolin-1-ium-1-carboxylate Traditional Name: 1,2-dihydroxy-2-isobutoxy-quinolin-1-ium-1-carboxylic acid ethyl ester Formula: C16H22NO5+ MolecularWeight: 308.34958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C2=CC=CC=C2C=CC1(O)OCC(C)C)O

Isomeric SMILES

CCOC(=O)[N+]1(C2=CC=CC=C2C=CC1(O)OCC(C)C)O

InChI

InChI=1S/C16H22NO5/c1-4-21-15(18)17(20)14-8-6-5-7-13(14)9-10-16(17,19)22-11-12(2)3/h5-10,12,19-20H,4,11H2,1-3H3/q+1