1-(4-fluorophenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C20H25FN3S+ MolecularWeight: 358.496003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3S/c21-18-8-10-19(11-9-18)23-20(25)22-14-16-6-2-3-7-17(16)15-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2,(H2,22,23,25)/p+1