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

Systemtic Name: 4-[[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]methyl]benzoate Openeye Name: 4-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]benzoate CAS Name: 4-[[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]methyl]benzoate IUPAC Name: 4-[(3-benzyl-2-methylimidazol-3-ium-1-yl)methyl]benzoate Traditional Name: 4-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]benzoate Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2/c1-15-20(13-16-5-3-2-4-6-16)11-12-21(15)14-17-7-9-18(10-8-17)19(22)23/h2-12H,13-14H2,1H3