isoquinolin-2-ium-2-yl N,N-dimethylcarbamate; tetraphenylboranuide

Systemtic Name: isoquinolin-2-ium-2-yl N,N-dimethylcarbamate; tetraphenylboranuide Openeye Name: isoquinolin-2-ium-2-yl N,N-dimethylcarbamate; tetraphenylboranuide CAS Name: N,N-dimethylcarbamic acid 2-isoquinolin-2-iumyl ester; tetraphenylboranuide IUPAC Name: isoquinolin-2-ium-2-yl N,N-dimethylcarbamate; tetraphenylboranuide Traditional Name: N,N-dimethylcarbamic acid isoquinolin-2-ium-2-yl ester; tetraphenylboranuide Formula: C36H33BN2O2 MolecularWeight: 536.47042

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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.CN(C)C(=O)O[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN(C)C(=O)O[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C24H20B.C12H13N2O2/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;1-13(2)12(15)16-14-8-7-10-5-3-4-6-11(10)9-14/h1-20H;3-9H,1-2H3/q-1;+1