2-methyl-3-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-1H-quinoline-8-carboxylate

Systemtic Name: 2-methyl-3-[[methyl-(phenylmethyl)azaniumyl]methyl]-4-oxidanylidene-1H-quinoline-8-carboxylate Openeye Name: 3-[[benzyl(methyl)ammonio]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate CAS Name: 2-methyl-3-[[methyl-(phenylmethyl)ammonio]methyl]-4-oxo-1H-quinoline-8-carboxylate IUPAC Name: 3-[[benzyl(methyl)azaniumyl]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate Traditional Name: 3-[[benzyl(methyl)ammonio]methyl]-4-keto-2-methyl-1H-quinoline-8-carboxylate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-13-17(12-22(2)11-14-7-4-3-5-8-14)19(23)15-9-6-10-16(20(24)25)18(15)21-13/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25)