2-chloranyl-10-(4,5-dihydro-1H-imidazol-1-ium-2-yl)phenothiazine chloride hydrate

Systemtic Name: 2-chloranyl-10-(4,5-dihydro-1H-imidazol-1-ium-2-yl)phenothiazine chloride hydrate Openeye Name: 2-chloro-10-(4,5-dihydro-1H-imidazol-1-ium-2-yl)phenothiazine chloride hydrate CAS Name: 2-chloro-10-(4,5-dihydro-1H-imidazol-1-ium-2-yl)phenothiazine chloride hydrate IUPAC Name: 2-chloro-10-(4,5-dihydro-1H-imidazol-1-ium-2-yl)phenothiazine chloride hydrate Traditional Name: 2-chloro-10-(2-imidazolin-1-ium-2-yl)phenothiazine chloride hydrate Formula: C15H15Cl2N3OS MolecularWeight: 356.2701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C([NH2+]1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.O.[Cl-]

Isomeric SMILES

C1CN=C([NH2+]1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.O.[Cl-]

InChI

InChI=1S/C15H12ClN3S.ClH.H2O/c16-10-5-6-14-12(9-10)19(15-17-7-8-18-15)11-3-1-2-4-13(11)20-14;;/h1-6,9H,7-8H2,(H,17,18);1H;1H2