methyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate

Systemtic Name: methyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate Openeye Name: methyl 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylic acid methyl ester Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1/C=C/C3=CC(=C(C=C3)OC)OC)C)C

InChI

InChI=1S/C23H26NO4/c1-23(2)17-14-16(22(25)28-6)9-10-18(17)24(3)21(23)12-8-15-7-11-19(26-4)20(13-15)27-5/h7-14H,1-6H3/q+1/b12-8+