(4-methoxy-2-methyl-pyridin-1-ium-1-yl) piperidine-1-carboxylate; tetraphenylboranuide

Systemtic Name: (4-methoxy-2-methyl-pyridin-1-ium-1-yl) piperidine-1-carboxylate; tetraphenylboranuide Openeye Name: (4-methoxy-2-methyl-pyridin-1-ium-1-yl) piperidine-1-carboxylate; tetraphenylboranuide CAS Name: 1-piperidinecarboxylic acid (4-methoxy-2-methyl-1-pyridin-1-iumyl) ester; tetraphenylboranuide IUPAC Name: (4-methoxy-2-methylpyridin-1-ium-1-yl) piperidine-1-carboxylate; tetraphenylboranuide Traditional Name: piperidine-1-carboxylic acid (4-methoxy-2-methyl-pyridin-1-ium-1-yl) ester; tetraphenylboranuide Formula: C37H39BN2O3 MolecularWeight: 570.52816

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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)OC)OC(=O)N2CCCCC2

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=[N+](C=CC(=C1)OC)OC(=O)N2CCCCC2

InChI

InChI=1S/C24H20B.C13H19N2O3/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(17-2)6-9-15(11)18-13(16)14-7-4-3-5-8-14/h1-20H;6,9-10H,3-5,7-8H2,1-2H3/q-1;+1