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

Systemtic Name: acridin-9-yl-[2-[4-(quinolin-4-ylazaniumyl)butoxy]phenyl]azanium dichloride Openeye Name: acridin-9-yl-[2-[4-(4-quinolylammonio)butoxy]phenyl]ammonium dichloride CAS Name: 9-acridinyl-[2-[4-(4-quinolinylammonio)butoxy]phenyl]ammonium dichloride IUPAC Name: acridin-9-yl-[2-[4-(quinolin-4-ylazaniumyl)butoxy]phenyl]azanium dichloride Traditional Name: acridin-9-yl-[2-[4-(4-quinolylammonio)butoxy]phenyl]ammonium dichloride Formula: C32H30Cl2N4O MolecularWeight: 557.5128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)[NH2+]CCCCOC3=CC=CC=C3[NH2+]C4=C5C=CC=CC5=NC6=CC=CC=C64.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)[NH2+]CCCCOC3=CC=CC=C3[NH2+]C4=C5C=CC=CC5=NC6=CC=CC=C64.[Cl-].[Cl-]

InChI

InChI=1S/C32H28N4O.2ClH/c1-4-14-26-23(11-1)27(19-21-34-26)33-20-9-10-22-37-31-18-8-7-17-30(31)36-32-24-12-2-5-15-28(24)35-29-16-6-3-13-25(29)32;;/h1-8,11-19,21H,9-10,20,22H2,(H,33,34)(H,35,36);2*1H