acridin-9-yl-[2-[4-[2-(acridin-9-ylazaniumyl)phenoxy]butoxy]phenyl]azanium dichloride

Systemtic Name: acridin-9-yl-[2-[4-[2-(acridin-9-ylazaniumyl)phenoxy]butoxy]phenyl]azanium dichloride Openeye Name: acridin-9-yl-[2-[4-[2-(acridin-9-ylammonio)phenoxy]butoxy]phenyl]ammonium dichloride CAS Name: 9-acridinyl-[2-[4-[2-(9-acridinylammonio)phenoxy]butoxy]phenyl]ammonium dichloride IUPAC Name: acridin-9-yl-[2-[4-[2-(acridin-9-ylazaniumyl)phenoxy]butoxy]phenyl]azanium dichloride Traditional Name: acridin-9-yl-[2-[4-[2-(acridin-9-ylammonio)phenoxy]butoxy]phenyl]ammonium dichloride Formula: C42H36Cl2N4O2 MolecularWeight: 699.66684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=CC=C4OCCCCOC5=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=C4OCCCCOC5=CC=CC=C5[NH2+]C6=C7C=CC=CC7=NC8=CC=CC=C86.[Cl-].[Cl-]

InChI

InChI=1S/C42H34N4O2.2ClH/c1-5-19-33-29(15-1)41(30-16-2-6-20-34(30)43-33)45-37-23-9-11-25-39(37)47-27-13-14-28-48-40-26-12-10-24-38(40)46-42-31-17-3-7-21-35(31)44-36-22-8-4-18-32(36)42;;/h1-12,15-26H,13-14,27-28H2,(H,43,45)(H,44,46);2*1H