(2-methyl-4-morpholin-4-yl-pyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide

Systemtic Name: (2-methyl-4-morpholin-4-yl-pyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide Openeye Name: (2-methyl-4-morpholino-pyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide CAS Name: 4-morpholinecarboxylic acid [2-methyl-4-(4-morpholinyl)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: (2-methyl-4-morpholin-4-ylpyridin-1-ium-1-yl) morpholine-4-carboxylate; tetraphenylboranuide Traditional Name: morpholine-4-carboxylic acid (2-methyl-4-morpholino-pyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C39H42BN3O4 MolecularWeight: 627.57948

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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=[N+](C=CC(=C1)N2CCOCC2)OC(=O)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H20B.C15H22N3O4/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;1-13-12-14(16-4-8-20-9-5-16)2-3-18(13)22-15(19)17-6-10-21-11-7-17/h1-20H;2-3,12H,4-11H2,1H3/q-1;+1