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

Systemtic Name: methyl 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate Openeye Name: methyl 2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate CAS Name: 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate Traditional Name: 2-[(E)-2-(2-methoxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylic acid methyl ester Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1C=CC3=CC=CC=C3OC)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1/C=C/C3=CC=CC=C3OC)C)C

InChI

InChI=1S/C22H24NO3/c1-22(2)17-14-16(21(24)26-5)10-12-18(17)23(3)20(22)13-11-15-8-6-7-9-19(15)25-4/h6-14H,1-5H3/q+1/b13-11+