2-cyanoethyl-ethyl-[3-oxidanylidene-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium

Systemtic Name: 2-cyanoethyl-ethyl-[3-oxidanylidene-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium Openeye Name: 2-cyanoethyl-ethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]ammonium CAS Name: 2-cyanoethyl-ethyl-[3-oxo-3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]ammonium IUPAC Name: 2-cyanoethyl-ethyl-[3-oxo-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]azanium Traditional Name: 2-cyanoethyl-ethyl-[3-keto-3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]ammonium Formula: C21H21F3N3OS+ MolecularWeight: 420.47115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC#N)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC[NH+](CCC#N)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-2-26(12-5-11-25)13-10-20(28)27-16-6-3-4-7-18(16)29-19-9-8-15(14-17(19)27)21(22,23)24/h3-4,6-9,14H,2,5,10,12-13H2,1H3/p+1