1-(2-chloranylphenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride

Systemtic Name: 1-(2-chloranylphenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride Openeye Name: 1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone dichloride IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride Traditional Name: 1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride Formula: C19H22Cl3N3OS MolecularWeight: 446.82148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C19H20ClN3OS.2ClH/c1-21-8-10-22(11-9-21)13-19(24)23-15-4-2-3-5-17(15)25-18-7-6-14(20)12-16(18)23;;/h2-7,12H,8-11,13H2,1H3;2*1H