methyl 3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]benzoate

Systemtic Name: methyl 3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]benzoate Openeye Name: methyl 3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]benzoate CAS Name: 3-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]benzoate Traditional Name: 3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]benzoic acid methyl ester Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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