1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C14H20ClFN3S+ MolecularWeight: 316.845103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H19ClFN3S/c15-12-10-11(4-5-13(12)16)18-14(20)17-6-9-19-7-2-1-3-8-19/h4-5,10H,1-3,6-9H2,(H2,17,18,20)/p+1