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

Systemtic Name: methyl 1,3,3-trimethyl-2-[(E)-2-phenylethenyl]indol-1-ium-5-carboxylate Openeye Name: methyl 1,3,3-trimethyl-2-[(E)-styryl]indol-1-ium-5-carboxylate CAS Name: 1,3,3-trimethyl-2-[(E)-2-phenylethenyl]-5-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1,3,3-trimethyl-2-[(E)-2-phenylethenyl]indol-1-ium-5-carboxylate Traditional Name: 1,3,3-trimethyl-2-[(E)-styryl]indol-1-ium-5-carboxylic acid methyl ester Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22NO2/c1-21(2)17-14-16(20(23)24-4)11-12-18(17)22(3)19(21)13-10-15-8-6-5-7-9-15/h5-14H,1-4H3/q+1/b13-10+