1-(1-methylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1-methyl-4-piperidin-1-iumyl)-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C14H19F3N3S+ MolecularWeight: 318.38097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=S)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=S)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H18F3N3S/c1-20-8-6-10(7-9-20)18-13(21)19-12-5-3-2-4-11(12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H2,18,19,21)/p+1