1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H24ClFN3S+ MolecularWeight: 392.941063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3S/c21-18-12-17(8-9-19(18)22)24-20(26)23-13-15-4-6-16(7-5-15)14-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13-14H2,(H2,23,24,26)/p+1