(2,6-dimethyl-4-morpholin-4-yl-pyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide

Systemtic Name: (2,6-dimethyl-4-morpholin-4-yl-pyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide Openeye Name: (2,6-dimethyl-4-morpholino-pyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide CAS Name: 4-morpholinecarboxylic acid [2,6-dimethyl-4-(4-morpholinyl)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: (2,6-dimethyl-4-morpholin-4-ylpyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide Traditional Name: morpholine-4-carboxylic acid (2,6-dimethyl-4-morpholino-pyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C40H44BN3O4 MolecularWeight: 641.60606

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.CC1=CC(=CC(=[N+]1OC(=O)N2CCOCC2)C)N3CCOCC3

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=CC(=[N+]1OC(=O)N2CCOCC2)C)N3CCOCC3

InChI

InChI=1S/C24H20B.C16H24N3O4/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;1-13-11-15(17-3-7-21-8-4-17)12-14(2)19(13)23-16(20)18-5-9-22-10-6-18/h1-20H;11-12H,3-10H2,1-2H3/q-1;+1