methyl 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,4-dimethyl-quinolin-1-ium-7-carboxylate

Systemtic Name: methyl 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,4-dimethyl-quinolin-1-ium-7-carboxylate Openeye Name: methyl 2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,4-dimethyl-quinolin-1-ium-7-carboxylate CAS Name: 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,4-dimethyl-7-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,4-dimethylquinolin-1-ium-7-carboxylate Traditional Name: 2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,4-dimethyl-quinolin-1-ium-7-carboxylic acid methyl ester Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C2=C1C=CC(=C2)C(=O)OC)C)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC(=[N+](C2=C1C=CC(=C2)C(=O)OC)C)/C=C/C3=CC=C(C=C3)N(C)C

InChI

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