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

Systemtic Name: (2,6-dimethyl-4-morpholin-4-yl-pyridin-1-ium-1-yl) ethanoate; tetraphenylboranuide Openeye Name: (2,6-dimethyl-4-morpholino-pyridin-1-ium-1-yl) acetate; tetraphenylboranuide CAS Name: acetic 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) acetate; tetraphenylboranuide Traditional Name: acetic acid (2,6-dimethyl-4-morpholino-pyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C37H39BN2O3 MolecularWeight: 570.52816

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

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)C)C)N2CCOCC2

InChI

InChI=1S/C24H20B.C13H19N2O3/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;1-10-8-13(14-4-6-17-7-5-14)9-11(2)15(10)18-12(3)16/h1-20H;8-9H,4-7H2,1-3H3/q-1;+1