acridin-9-yl-[4-(8-oxidanyl-8-oxidanylidene-octyl)phenyl]azanium chloride

Systemtic Name: acridin-9-yl-[4-(8-oxidanyl-8-oxidanylidene-octyl)phenyl]azanium chloride Openeye Name: acridin-9-yl-[4-(8-hydroxy-8-oxo-octyl)phenyl]ammonium chloride CAS Name: 9-acridinyl-[4-(8-hydroxy-8-oxooctyl)phenyl]ammonium chloride IUPAC Name: acridin-9-yl-[4-(8-hydroxy-8-oxooctyl)phenyl]azanium chloride Traditional Name: acridin-9-yl-[4-(8-hydroxy-8-keto-octyl)phenyl]ammonium chloride Formula: C27H29ClN2O2 MolecularWeight: 448.98436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCCC(=O)O.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCCC(=O)O.[Cl-]

InChI

InChI=1S/C27H28N2O2.ClH/c30-26(31)15-5-3-1-2-4-10-20-16-18-21(19-17-20)28-27-22-11-6-8-13-24(22)29-25-14-9-7-12-23(25)27;/h6-9,11-14,16-19H,1-5,10,15H2,(H,28,29)(H,30,31);1H