[2,6-di(propan-2-yl)phenyl] 3-[(2-bromophenyl)methyl]imidazol-3-ium-1-carboxylate bromide

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 3-[(2-bromophenyl)methyl]imidazol-3-ium-1-carboxylate bromide Openeye Name: (2,6-diisopropylphenyl) 3-[(2-bromophenyl)methyl]imidazol-3-ium-1-carboxylate bromide CAS Name: 3-[(2-bromophenyl)methyl]-1-imidazol-3-iumcarboxylic acid [2,6-di(propan-2-yl)phenyl] ester bromide IUPAC Name: [2,6-di(propan-2-yl)phenyl] 3-[(2-bromophenyl)methyl]imidazol-3-ium-1-carboxylate bromide Traditional Name: 3-(2-bromobenzyl)imidazol-3-ium-1-carboxylic acid (2,6-diisopropylphenyl) ester bromide Formula: C23H26Br2N2O2 MolecularWeight: 522.27274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)N2C=C[N+](=C2)CC3=CC=CC=C3Br.[Br-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)N2C=C[N+](=C2)CC3=CC=CC=C3Br.[Br-]

InChI

InChI=1S/C23H26BrN2O2.BrH/c1-16(2)19-9-7-10-20(17(3)4)22(19)28-23(27)26-13-12-25(15-26)14-18-8-5-6-11-21(18)24;/h5-13,15-17H,14H2,1-4H3;1H/q+1;/p-1