[4-[[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]methyl]phenyl] ethanoate

Systemtic Name: [4-[[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]methyl]phenyl] ethanoate Openeye Name: [4-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]phenyl] acetate CAS Name: acetic acid [4-[[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]methyl]phenyl] ester IUPAC Name: [4-[(3-benzyl-2-methylimidazol-3-ium-1-yl)methyl]phenyl] acetate Traditional Name: acetic acid [4-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]phenyl] ester Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC2=CC=C(C=C2)OC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C=CN1CC2=CC=C(C=C2)OC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N2O2/c1-16-21(14-18-6-4-3-5-7-18)12-13-22(16)15-19-8-10-20(11-9-19)24-17(2)23/h3-13H,14-15H2,1-2H3/q+1