acridin-9-yl-[4-[6-(quinolin-4-ylazaniumyl)hexylsulfonylamino]phenyl]azanium dibromide

Systemtic Name: acridin-9-yl-[4-[6-(quinolin-4-ylazaniumyl)hexylsulfonylamino]phenyl]azanium dibromide Openeye Name: acridin-9-yl-[4-[6-(4-quinolylammonio)hexylsulfonylamino]phenyl]ammonium dibromide CAS Name: 9-acridinyl-[4-[6-(4-quinolinylammonio)hexylsulfonylamino]phenyl]ammonium dibromide IUPAC Name: acridin-9-yl-[4-[6-(quinolin-4-ylazaniumyl)hexylsulfonylamino]phenyl]azanium dibromide Traditional Name: acridin-9-yl-[4-[6-(4-quinolylammonio)hexylsulfonylamino]phenyl]ammonium dibromide Formula: C34H35Br2N5O2S MolecularWeight: 737.547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)[NH2+]CCCCCCS(=O)(=O)NC3=CC=C(C=C3)[NH2+]C4=C5C=CC=CC5=NC6=CC=CC=C64.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)[NH2+]CCCCCCS(=O)(=O)NC3=CC=C(C=C3)[NH2+]C4=C5C=CC=CC5=NC6=CC=CC=C64.[Br-].[Br-]

InChI

InChI=1S/C34H33N5O2S.2BrH/c40-42(41,24-10-2-1-9-22-35-31-21-23-36-30-14-6-3-11-27(30)31)39-26-19-17-25(18-20-26)37-34-28-12-4-7-15-32(28)38-33-16-8-5-13-29(33)34;;/h3-8,11-21,23,39H,1-2,9-10,22,24H2,(H,35,36)(H,37,38);2*1H