[4-(dimethylamino)pyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide

Systemtic Name: [4-(dimethylamino)pyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide Openeye Name: [4-(dimethylamino)pyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide CAS Name: 4-morpholinecarboxylic acid [4-(dimethylamino)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: [4-(dimethylamino)pyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide Traditional Name: morpholine-4-carboxylic acid [4-(dimethylamino)pyridin-1-ium-1-yl] ester; tetraphenylboranuide Formula: C36H38BN3O3 MolecularWeight: 571.51622

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20B.C12H18N3O3/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(2)11-3-5-15(6-4-11)18-12(16)14-7-9-17-10-8-14/h1-20H;3-6H,7-10H2,1-2H3/q-1;+1