4-(dimethylamino)-N,N,2-trimethyl-pyridin-1-ium-1-carboxamide; tetraphenylboranuide

Systemtic Name: 4-(dimethylamino)-N,N,2-trimethyl-pyridin-1-ium-1-carboxamide; tetraphenylboranuide Openeye Name: 4-(dimethylamino)-N,N,2-trimethyl-pyridin-1-ium-1-carboxamide; tetraphenylboranuide CAS Name: 4-(dimethylamino)-N,N,2-trimethyl-1-pyridin-1-iumcarboxamide; tetraphenylboranuide IUPAC Name: 4-(dimethylamino)-N,N,2-trimethylpyridin-1-ium-1-carboxamide; tetraphenylboranuide Traditional Name: 4-(dimethylamino)-N,N,2-trimethyl-pyridin-1-ium-1-carboxamide; tetraphenylboranuide Formula: C35H38BN3O MolecularWeight: 527.50672

Click to see the large picture

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)C(=O)N(C)C

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)C(=O)N(C)C

InChI

InChI=1S/C24H20B.C11H18N3O/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;1-9-8-10(12(2)3)6-7-14(9)11(15)13(4)5/h1-20H;6-8H,1-5H3/q-1;+1