(4-morpholin-4-ylpyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide

Systemtic Name: (4-morpholin-4-ylpyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide Openeye Name: (4-morpholinopyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide CAS Name: 4-morpholinecarboxylic acid [4-(4-morpholinyl)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: (4-morpholin-4-ylpyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide Traditional Name: morpholine-4-carboxylic acid (4-morpholinopyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C38H40BN3O4 MolecularWeight: 613.5529

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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.C1COCCN1C2=CC=[N+](C=C2)OC(=O)N3CCOCC3

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1COCCN1C2=CC=[N+](C=C2)OC(=O)N3CCOCC3

InChI

InChI=1S/C24H20B.C14H20N3O4/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;18-14(16-7-11-20-12-8-16)21-17-3-1-13(2-4-17)15-5-9-19-10-6-15/h1-20H;1-4H,5-12H2/q-1;+1