8-(6-methoxyquinolin-1-ium-1-yl)octanoic acid; tetraphenylboranuide

Systemtic Name: 8-(6-methoxyquinolin-1-ium-1-yl)octanoic acid; tetraphenylboranuide Openeye Name: 8-(6-methoxyquinolin-1-ium-1-yl)octanoic acid; tetraphenylboranuide CAS Name: 8-(6-methoxy-1-quinolin-1-iumyl)octanoic acid; tetraphenylboranuide IUPAC Name: 8-(6-methoxyquinolin-1-ium-1-yl)octanoic acid; tetraphenylboranuide Traditional Name: 8-(6-methoxyquinolin-1-ium-1-yl)caprylic acid; tetraphenylboranuide Formula: C42H44BNO3 MolecularWeight: 621.61466

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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.COC1=CC2=C(C=C1)[N+](=CC=C2)CCCCCCCC(=O)O

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC2=C(C=C1)[N+](=CC=C2)CCCCCCCC(=O)O

InChI

InChI=1S/C24H20B.C18H23NO3/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;1-22-16-10-11-17-15(14-16)8-7-13-19(17)12-6-4-2-3-5-9-18(20)21/h1-20H;7-8,10-11,13-14H,2-6,9,12H2,1H3/q-1;/p+1