methyl 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-methyl-quinolin-1-ium-6-carboxylate

Systemtic Name: methyl 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-methyl-quinolin-1-ium-6-carboxylate Openeye Name: methyl 2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-methyl-quinolin-1-ium-6-carboxylate CAS Name: 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-methyl-6-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-methylquinolin-1-ium-6-carboxylate Traditional Name: 2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-methyl-quinolin-1-ium-6-carboxylic acid methyl ester Formula: C22H23N2O2+ MolecularWeight: 347.43022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=C1C=CC(=C2)C(=O)OC)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[N+]1=C(C=CC2=C1C=CC(=C2)C(=O)OC)/C=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H23N2O2/c1-23(2)19-10-5-16(6-11-19)7-12-20-13-8-17-15-18(22(25)26-4)9-14-21(17)24(20)3/h5-15H,1-4H3/q+1