1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Formula: C16H24ClFN3S+ MolecularWeight: 344.898263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H23ClFN3S/c1-12-5-9-21(10-6-12)8-2-7-19-16(22)20-13-3-4-15(18)14(17)11-13/h3-4,11-12H,2,5-10H2,1H3,(H2,19,20,22)/p+1