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

Systemtic Name: 1-[3-[4-(3-chloranyl-4-fluoranyl-phenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-thiourea Openeye Name: 1-[3-[4-(3-chloro-4-fluoro-phenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-thiourea CAS Name: 1-[3-[4-(3-chloro-4-fluorophenyl)-1-piperazin-1-iumyl]propyl]-3-methylthiourea IUPAC Name: 1-[3-[4-(3-chloro-4-fluorophenyl)piperazin-1-ium-1-yl]propyl]-3-methylthiourea Traditional Name: 1-[3-[4-(3-chloro-4-fluoro-phenyl)piperazin-1-ium-1-yl]propyl]-3-methyl-thiourea Formula: C15H23ClFN4S+ MolecularWeight: 345.886323

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCC[NH+]1CCN(CC1)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CNC(=S)NCCC[NH+]1CCN(CC1)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H22ClFN4S/c1-18-15(22)19-5-2-6-20-7-9-21(10-8-20)12-3-4-14(17)13(16)11-12/h3-4,11H,2,5-10H2,1H3,(H2,18,19,22)/p+1