methyl 4-[[4-phenyl-3-(phenylmethyl)imidazol-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-phenyl-3-(phenylmethyl)imidazol-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[(3-benzyl-4-phenyl-imidazol-1-ium-1-yl)methyl]benzoate CAS Name: 4-[[4-phenyl-3-(phenylmethyl)-1-imidazol-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-benzyl-4-phenylimidazol-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(3-benzyl-4-phenyl-imidazol-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C25H23N2O2+ MolecularWeight: 383.46232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=CN(C(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=CN(C(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N2O2/c1-29-25(28)23-14-12-21(13-15-23)16-26-18-24(22-10-6-3-7-11-22)27(19-26)17-20-8-4-2-5-9-20/h2-15,18-19H,16-17H2,1H3/q+1