acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; dihydrochloride

Systemtic Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; dihydrochloride Openeye Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; dihydrochloride CAS Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; dihydrochloride IUPAC Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; chloride; dihydrochloride Traditional Name: (6-aminoacridin-3-yl)amine; (6-amino-10-methyl-acridin-10-ium-3-yl)amine; chloride; dihydrochloride Formula: C27H27Cl3N6 MolecularWeight: 541.90248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.Cl.[Cl-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.Cl.[Cl-]

InChI

InChI=1S/C14H13N3.C13H11N3.3ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;3*1H