6-[4-[(dimethylazaniumyl)methyl]phenyl]-2-methyl-quinoline-4-carboxylate

Systemtic Name: 6-[4-[(dimethylazaniumyl)methyl]phenyl]-2-methyl-quinoline-4-carboxylate Openeye Name: 6-[4-[(dimethylammonio)methyl]phenyl]-2-methyl-quinoline-4-carboxylate CAS Name: 6-[4-[(dimethylammonio)methyl]phenyl]-2-methyl-4-quinolinecarboxylate IUPAC Name: 6-[4-[(dimethylazaniumyl)methyl]phenyl]-2-methylquinoline-4-carboxylate Traditional Name: 6-[4-[(dimethylammonio)methyl]phenyl]-2-methyl-cinchoninate Formula: C20H20N2O2 MolecularWeight: 320.385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C3=CC=C(C=C3)C[NH+](C)C)C(=C1)C(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C3=CC=C(C=C3)C[NH+](C)C)C(=C1)C(=O)[O-]

InChI

InChI=1S/C20H20N2O2/c1-13-10-18(20(23)24)17-11-16(8-9-19(17)21-13)15-6-4-14(5-7-15)12-22(2)3/h4-11H,12H2,1-3H3,(H,23,24)