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

Systemtic Name: 1-(2-fluorophenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-fluorophenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-fluorophenyl)-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-fluorophenyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-fluorophenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C19H23FN3S+ MolecularWeight: 344.469423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C19H22FN3S/c20-17-5-1-2-6-18(17)22-19(24)21-13-15-7-9-16(10-8-15)14-23-11-3-4-12-23/h1-2,5-10H,3-4,11-14H2,(H2,21,22,24)/p+1