3-(3-oxidanidyl-4,5-diphenyl-2-propan-2-yl-imidazol-3-ium-1-yl)propanoic acid

Systemtic Name: 3-(3-oxidanidyl-4,5-diphenyl-2-propan-2-yl-imidazol-3-ium-1-yl)propanoic acid Openeye Name: 3-(2-isopropyl-3-oxido-4,5-diphenyl-imidazol-3-ium-1-yl)propanoic acid CAS Name: 3-(3-oxido-4,5-diphenyl-2-propan-2-yl-1-imidazol-3-iumyl)propanoic acid IUPAC Name: 3-(3-oxido-4,5-diphenyl-2-propan-2-ylimidazol-3-ium-1-yl)propanoic acid Traditional Name: 3-(2-isopropyl-3-oxido-4,5-diphenyl-imidazol-3-ium-1-yl)propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C(=C(N1CCC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)C1=[N+](C(=C(N1CCC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H22N2O3/c1-15(2)21-22(14-13-18(24)25)19(16-9-5-3-6-10-16)20(23(21)26)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,24,25)