tetraphenylboranuide; (2,4,6-trimethylpyridin-1-ium-1-yl) N,N-dimethylcarbamate

Systemtic Name: tetraphenylboranuide; (2,4,6-trimethylpyridin-1-ium-1-yl) N,N-dimethylcarbamate Openeye Name: tetraphenylboranuide; (2,4,6-trimethylpyridin-1-ium-1-yl) N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid (2,4,6-trimethyl-1-pyridin-1-iumyl) ester; tetraphenylboranuide IUPAC Name: tetraphenylboranuide; (2,4,6-trimethylpyridin-1-ium-1-yl) N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid (2,4,6-trimethylpyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C35H37BN2O2 MolecularWeight: 528.49148

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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.CC1=CC(=[N+](C(=C1)C)OC(=O)N(C)C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=[N+](C(=C1)C)OC(=O)N(C)C)C

InChI

InChI=1S/C24H20B.C11H17N2O2/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;1-8-6-9(2)13(10(3)7-8)15-11(14)12(4)5/h1-20H;6-7H,1-5H3/q-1;+1