8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid; tetraphenylboranuide

Systemtic Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid; tetraphenylboranuide Openeye Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid; tetraphenylboranuide CAS Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid; tetraphenylboranuide IUPAC Name: 8-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)octanoic acid; tetraphenylboranuide Traditional Name: 8-(1-methyl-9H-$b-carbolin-2-ium-2-yl)caprylic acid; tetraphenylboranuide Formula: C44H45BN2O2 MolecularWeight: 644.6513

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=CC2=C1NC3=CC=CC=C23)CCCCCCCC(=O)O

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCCCCCC(=O)O

InChI

InChI=1S/C24H20B.C20H24N2O2/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;1-15-20-17(16-9-6-7-10-18(16)21-20)12-14-22(15)13-8-4-2-3-5-11-19(23)24/h1-20H;6-7,9-10,12,14H,2-5,8,11,13H2,1H3,(H,23,24)/q-1;/p+1