acridin-9-yl-[2-[6-[2-(acridin-9-ylazaniumyl)phenoxy]hexoxy]phenyl]azanium dichloride

Systemtic Name: acridin-9-yl-[2-[6-[2-(acridin-9-ylazaniumyl)phenoxy]hexoxy]phenyl]azanium dichloride Openeye Name: acridin-9-yl-[2-[6-[2-(acridin-9-ylammonio)phenoxy]hexoxy]phenyl]ammonium dichloride CAS Name: 9-acridinyl-[2-[6-[2-(9-acridinylammonio)phenoxy]hexoxy]phenyl]ammonium dichloride IUPAC Name: acridin-9-yl-[2-[6-[2-(acridin-9-ylazaniumyl)phenoxy]hexoxy]phenyl]azanium dichloride Traditional Name: acridin-9-yl-[2-[6-[2-(acridin-9-ylammonio)phenoxy]hexoxy]phenyl]ammonium dichloride Formula: C44H40Cl2N4O2 MolecularWeight: 727.72

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=CC=C4OCCCCCCOC5=CC=CC=C5[NH2+]C6=C7C=CC=CC7=NC8=CC=CC=C86.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=CC=C4OCCCCCCOC5=CC=CC=C5[NH2+]C6=C7C=CC=CC7=NC8=CC=CC=C86.[Cl-].[Cl-]

InChI

InChI=1S/C44H38N4O2.2ClH/c1(15-29-49-41-27-13-11-25-39(41)47-43-31-17-3-7-21-35(31)45-36-22-8-4-18-32(36)43)2-16-30-50-42-28-14-12-26-40(42)48-44-33-19-5-9-23-37(33)46-38-24-10-6-20-34(38)44;;/h3-14,17-28H,1-2,15-16,29-30H2,(H,45,47)(H,46,48);2*1H