3-[[butyl(methyl)azaniumyl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: 3-[[butyl(methyl)azaniumyl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: 3-[[butyl(methyl)ammonio]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[[butyl(methyl)ammonio]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate IUPAC Name: 3-[[butyl(methyl)azaniumyl]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[[butyl(methyl)ammonio]methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylate Formula: C17H22N2O3 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(NC2=C(C1=O)C=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CCCC[NH+](C)CC1=C(NC2=C(C1=O)C=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C17H22N2O3/c1-4-5-8-19(3)10-14-11(2)18-15-7-6-12(17(21)22)9-13(15)16(14)20/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,20)(H,21,22)