methyl 4-[(E)-2-(5-ethoxy-1,3,3-trimethyl-indol-1-ium-2-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(5-ethoxy-1,3,3-trimethyl-indol-1-ium-2-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(5-ethoxy-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(5-ethoxy-1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(5-ethoxy-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(5-ethoxy-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]benzoic acid methyl ester Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=C(C2(C)C)C=CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=C(C2(C)C)/C=C/C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C23H26NO3/c1-6-27-18-12-13-20-19(15-18)23(2,3)21(24(20)4)14-9-16-7-10-17(11-8-16)22(25)26-5/h7-15H,6H2,1-5H3/q+1/b14-9+