methyl 3-methylimidazol-3-ium-1-carboxylate; tetraphenylboranuide

Systemtic Name: methyl 3-methylimidazol-3-ium-1-carboxylate; tetraphenylboranuide Openeye Name: methyl 3-methylimidazol-3-ium-1-carboxylate; tetraphenylboranuide CAS Name: 3-methyl-1-imidazol-3-iumcarboxylic acid methyl ester; tetraphenylboranuide IUPAC Name: methyl 3-methylimidazol-3-ium-1-carboxylate; tetraphenylboranuide Traditional Name: 3-methylimidazol-3-ium-1-carboxylic acid methyl ester; tetraphenylboranuide Formula: C30H29BN2O2 MolecularWeight: 460.37446

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[N+]1=CN(C=C1)C(=O)OC

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[N+]1=CN(C=C1)C(=O)OC

InChI

InChI=1S/C24H20B.C6H9N2O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-7-3-4-8(5-7)6(9)10-2/h1-20H;3-5H,1-2H3/q-1;+1