methyl 4-(3-phenacylimidazol-3-ium-1-yl)benzoate

Systemtic Name: methyl 4-(3-phenacylimidazol-3-ium-1-yl)benzoate Openeye Name: methyl 4-(3-phenacylimidazol-3-ium-1-yl)benzoate CAS Name: 4-(3-phenacyl-1-imidazol-3-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-phenacylimidazol-3-ium-1-yl)benzoate Traditional Name: 4-(3-phenacylimidazol-3-ium-1-yl)benzoic acid methyl ester Formula: C19H17N2O3+ MolecularWeight: 321.34988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N2O3/c1-24-19(23)16-7-9-17(10-8-16)21-12-11-20(14-21)13-18(22)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3/q+1