2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone chloride

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone chloride Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone chloride CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(10-phenothiazinyl)ethanone chloride IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenothiazin-10-ylethanone chloride Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-phenothiazin-10-yl-ethanone chloride Formula: C21H20ClN3OS MolecularWeight: 397.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C21H20N3OS.ClH/c1-22(2)16-11-13-23(14-12-16)15-21(25)24-17-7-3-5-9-19(17)26-20-10-6-4-8-18(20)24;/h3-14H,15H2,1-2H3;1H/q+1;/p-1