2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 4-(4-methylphenyl)benzoate

Systemtic Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 4-(4-methylphenyl)benzoate Openeye Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 4-(p-tolyl)benzoate CAS Name: 4-(4-methylphenyl)benzoic acid 2-[2-(3-methyl-1-imidazol-3-iumyl)ethoxy]ethyl ester IUPAC Name: 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl 4-(4-methylphenyl)benzoate Traditional Name: 4-(p-tolyl)benzoic acid 2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]ethyl ester Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCOCCN3C=C[N+](=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCOCCN3C=C[N+](=C3)C

InChI

InChI=1S/C22H25N2O3/c1-18-3-5-19(6-4-18)20-7-9-21(10-8-20)22(25)27-16-15-26-14-13-24-12-11-23(2)17-24/h3-12,17H,13-16H2,1-2H3/q+1