N,N-diethyl-3-methyl-imidazol-3-ium-1-carboxamide; tetraphenylboranuide

Systemtic Name: N,N-diethyl-3-methyl-imidazol-3-ium-1-carboxamide; tetraphenylboranuide Openeye Name: N,N-diethyl-3-methyl-imidazol-3-ium-1-carboxamide; tetraphenylboranuide CAS Name: N,N-diethyl-3-methyl-1-imidazol-3-iumcarboxamide; tetraphenylboranuide IUPAC Name: N,N-diethyl-3-methylimidazol-3-ium-1-carboxamide; tetraphenylboranuide Traditional Name: N,N-diethyl-3-methyl-imidazol-3-ium-1-carboxamide; tetraphenylboranuide Formula: C33H36BN3O MolecularWeight: 501.46944

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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.CCN(CC)C(=O)N1C=C[N+](=C1)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCN(CC)C(=O)N1C=C[N+](=C1)C

InChI

InChI=1S/C24H20B.C9H16N3O/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;1-4-11(5-2)9(13)12-7-6-10(3)8-12/h1-20H;6-8H,4-5H2,1-3H3/q-1;+1