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

Systemtic Name: 3-[[bis(phenylmethyl)azaniumyl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: 3-[(dibenzylammonio)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[[bis(phenylmethyl)ammonio]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate IUPAC Name: 3-[(dibenzylazaniumyl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[(dibenzylammonio)methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylate Formula: C26H24N2O3 MolecularWeight: 412.48036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-18-23(25(29)22-14-21(26(30)31)12-13-24(22)27-18)17-28(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14H,15-17H2,1H3,(H,27,29)(H,30,31)