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

Systemtic Name: [4-(dimethylamino)pyridin-1-ium-1-yl] piperidine-1-carboxylate; tetraphenylboranuide Openeye Name: [4-(dimethylamino)pyridin-1-ium-1-yl] piperidine-1-carboxylate; tetraphenylboranuide CAS Name: 1-piperidinecarboxylic acid [4-(dimethylamino)-1-pyridin-1-iumyl] ester; tetraphenylboranuide IUPAC Name: [4-(dimethylamino)pyridin-1-ium-1-yl] piperidine-1-carboxylate; tetraphenylboranuide Traditional Name: piperidine-1-carboxylic acid [4-(dimethylamino)pyridin-1-ium-1-yl] ester; tetraphenylboranuide Formula: C37H40BN3O2 MolecularWeight: 569.5434

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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)N2CCCCC2

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)N2CCCCC2

InChI

InChI=1S/C24H20B.C13H20N3O2/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;1-14(2)12-6-10-16(11-7-12)18-13(17)15-8-4-3-5-9-15/h1-20H;6-7,10-11H,3-5,8-9H2,1-2H3/q-1;+1