(4-morpholin-4-ylpyridin-1-ium-1-yl) ethanoate; tetraphenylboranuide

Systemtic Name: (4-morpholin-4-ylpyridin-1-ium-1-yl) ethanoate; tetraphenylboranuide Openeye Name: (4-morpholinopyridin-1-ium-1-yl) acetate; tetraphenylboranuide CAS Name: acetic acid [4-(4-morpholinyl)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: (4-morpholin-4-ylpyridin-1-ium-1-yl) acetate; tetraphenylboranuide Traditional Name: acetic acid (4-morpholinopyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C35H35BN2O3 MolecularWeight: 542.475

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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.CC(=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.CC(=O)O[N+]1=CC=C(C=C1)N2CCOCC2

InChI

InChI=1S/C24H20B.C11H15N2O3/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(14)16-13-4-2-11(3-5-13)12-6-8-15-9-7-12/h1-20H;2-5H,6-9H2,1H3/q-1;+1