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

Systemtic Name: 4-[[2-methyl-3-(phenylmethyl)imidazol-3-ium-1-yl]methyl]benzoic acid Openeye Name: 4-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]benzoic acid CAS Name: 4-[[2-methyl-3-(phenylmethyl)-1-imidazol-3-iumyl]methyl]benzoic acid IUPAC Name: 4-[(3-benzyl-2-methylimidazol-3-ium-1-yl)methyl]benzoic acid Traditional Name: 4-[(3-benzyl-2-methyl-imidazol-3-ium-1-yl)methyl]benzoic acid Formula: C19H19N2O2+ MolecularWeight: 307.36636

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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/p+1