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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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