[4-(dimethylamino)-2-methyl-pyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide

Systemtic Name: [4-(dimethylamino)-2-methyl-pyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide Openeye Name: [4-(dimethylamino)-2-methyl-pyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide CAS Name: 4-morpholinecarboxylic acid [4-(dimethylamino)-2-methyl-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: [4-(dimethylamino)-2-methylpyridin-1-ium-1-yl] morpholine-4-carboxylate; tetraphenylboranuide Traditional Name: morpholine-4-carboxylic acid [4-(dimethylamino)-2-methyl-pyridin-1-ium-1-yl] ester; tetraphenylboranuide Formula: C37H40BN3O3 MolecularWeight: 585.5428

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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)N(C)C)OC(=O)N2CCOCC2

Isomeric SMILES

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

InChI

InChI=1S/C24H20B.C13H20N3O3/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;1-11-10-12(14(2)3)4-5-16(11)19-13(17)15-6-8-18-9-7-15/h1-20H;4-5,10H,6-9H2,1-3H3/q-1;+1