acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; dichloride

Systemtic Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; dichloride Openeye Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; dichloride CAS Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; dichloride IUPAC Name: acridine-3,6-diamine; 10-methylacridin-10-ium-3,6-diamine; dichloride Traditional Name: (6-aminoacridin-3-yl)amine; (6-amino-10-methyl-acridin-10-ium-3-yl)amine; dichloride Formula: C54H50Cl2N12 MolecularWeight: 937.9612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H13N3.2C13H11N3.2ClH/c2*1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h2*2-8H,1H3,(H3,15,16);2*1-7H,14-15H2;2*1H