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

Systemtic Name: methyl 4-[2-(4-dimethylaminophenyl)ethenyl]-1-ethyl-quinolin-1-ium-6-carboxylate Openeye Name: methyl 4-[2-(4-dimethylaminophenyl)vinyl]-1-ethyl-quinolin-1-ium-6-carboxylate CAS Name: 4-[2-(4-dimethylaminophenyl)ethenyl]-1-ethyl-6-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-dimethylaminophenyl)ethenyl]-1-ethylquinolin-1-ium-6-carboxylate Traditional Name: 4-[2-(4-dimethylaminophenyl)vinyl]-1-ethyl-quinolin-1-ium-6-carboxylic acid methyl ester Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC(=CC2=C(C=C1)C=CC3=CC=C(C=C3)N(C)C)C(=O)OC

Isomeric SMILES

CC[N+]1=C2C=CC(=CC2=C(C=C1)C=CC3=CC=C(C=C3)N(C)C)C(=O)OC

InChI

InChI=1S/C23H25N2O2/c1-5-25-15-14-18(9-6-17-7-11-20(12-8-17)24(2)3)21-16-19(23(26)27-4)10-13-22(21)25/h6-16H,5H2,1-4H3/q+1