methyl 2-[3-[(4-cyanophenyl)methyl]-1-(triphenylmethyl)imidazol-1-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[3-[(4-cyanophenyl)methyl]-1-(triphenylmethyl)imidazol-1-ium-4-yl]ethanoate Openeye Name: methyl 2-[3-[(4-cyanophenyl)methyl]-1-trityl-imidazol-1-ium-4-yl]acetate CAS Name: 2-[3-[(4-cyanophenyl)methyl]-1-(triphenylmethyl)-4-imidazol-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(4-cyanophenyl)methyl]-1-tritylimidazol-1-ium-4-yl]acetate Traditional Name: 2-[3-(4-cyanobenzyl)-1-trityl-imidazol-1-ium-4-yl]acetic acid methyl ester Formula: C33H28N3O2+ MolecularWeight: 498.59432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C[N+](=CN1CC2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CC1=C[N+](=CN1CC2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H28N3O2/c1-38-32(37)21-31-24-36(25-35(31)23-27-19-17-26(22-34)18-20-27)33(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,24-25H,21,23H2,1H3/q+1