(4-morpholin-4-ylpyridin-1-ium-1-yl) N,N-dimethylcarbamate; tetraphenylboranuide

Systemtic Name: (4-morpholin-4-ylpyridin-1-ium-1-yl) N,N-dimethylcarbamate; tetraphenylboranuide Openeye Name: (4-morpholinopyridin-1-ium-1-yl) N,N-dimethylcarbamate; tetraphenylboranuide CAS Name: N,N-dimethylcarbamic acid [4-(4-morpholinyl)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: (4-morpholin-4-ylpyridin-1-ium-1-yl) N,N-dimethylcarbamate; tetraphenylboranuide Traditional Name: N,N-dimethylcarbamic acid (4-morpholinopyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C36H38BN3O3 MolecularWeight: 571.51622

Click to see the large picture

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=CC=C(C=C1)N2CCOCC2

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=CC=C(C=C1)N2CCOCC2

InChI

InChI=1S/C24H20B.C12H18N3O3/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(16)18-15-5-3-11(4-6-15)14-7-9-17-10-8-14/h1-20H;3-6H,7-10H2,1-2H3/q-1;+1