2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-propan-1-one bromide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-propan-1-one bromide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-propan-1-one bromide CAS Name: 2-(1-methyl-1-piperidin-1-iumyl)-1-(10-phenothiazinyl)-1-propanone bromide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-ylpropan-1-one bromide Traditional Name: 2-(1-methylpiperidin-1-ium-1-yl)-1-phenothiazin-10-yl-propan-1-one bromide Formula: C21H25BrN2OS MolecularWeight: 433.405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCCC4)C.[Br-]

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCCC4)C.[Br-]

InChI

InChI=1S/C21H25N2OS.BrH/c1-16(23(2)14-8-3-9-15-23)21(24)22-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)22;/h4-7,10-13,16H,3,8-9,14-15H2,1-2H3;1H/q+1;/p-1