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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=S)NC3=CC=CC=C3F

InChI

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