acridin-10-ium-9-yl-[5-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylazaniumyl]pentyl]azanium hexachloride

Systemtic Name: acridin-10-ium-9-yl-[5-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylazaniumyl]pentyl]azanium hexachloride Openeye Name: acridin-10-ium-9-yl-[5-[3-[4-(3-azaniumylpropylammonio)butylammonio]propylammonio]pentyl]ammonium hexachloride CAS Name: 9-acridin-10-iumyl-[5-[3-[4-(3-ammoniopropylammonio)butylammonio]propylammonio]pentyl]ammonium hexachloride IUPAC Name: acridin-10-ium-9-yl-[5-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylazaniumyl]pentyl]azanium hexachloride Traditional Name: acridin-10-ium-9-yl-[5-[3-[4-(3-ammoniopropylammonio)butylammonio]propylammonio]pentyl]ammonium hexachloride Formula: C28H50Cl6N6 MolecularWeight: 683.4548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)[NH2+]CCCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)[NH2+]CCCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C28H44N6.6ClH/c29-16-10-20-30-18-8-9-19-32-22-11-21-31-17-6-1-7-23-33-28-24-12-2-4-14-26(24)34-27-15-5-3-13-25(27)28;;;;;;/h2-5,12-15,30-32H,1,6-11,16-23,29H2,(H,33,34);6*1H