15-(6-methoxyquinolin-1-ium-1-yl)pentadecanoic acid; tetraphenylboranuide

Systemtic Name: 15-(6-methoxyquinolin-1-ium-1-yl)pentadecanoic acid; tetraphenylboranuide Openeye Name: 15-(6-methoxyquinolin-1-ium-1-yl)pentadecanoic acid; tetraphenylboranuide CAS Name: 15-(6-methoxy-1-quinolin-1-iumyl)pentadecanoic acid; tetraphenylboranuide IUPAC Name: 15-(6-methoxyquinolin-1-ium-1-yl)pentadecanoic acid; tetraphenylboranuide Traditional Name: 15-(6-methoxyquinolin-1-ium-1-yl)pentadecanoic acid; tetraphenylboranuide Formula: C49H58BNO3 MolecularWeight: 719.80072

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

InChI

InChI=1S/C25H37NO3.C24H20B/c1-29-23-17-18-24-22(21-23)15-14-20-26(24)19-13-11-9-7-5-3-2-4-6-8-10-12-16-25(27)28;1-5-13-21(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/h14-15,17-18,20-21H,2-13,16,19H2,1H3;1-20H/q;-1/p+1