1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C16H24ClFN3S+ MolecularWeight: 344.898263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC(=C(C=C2)F)Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC(=C(C=C2)F)Cl)C

InChI

InChI=1S/C16H23ClFN3S/c1-15(2)8-11(9-16(3,4)21-15)20-14(22)19-10-5-6-13(18)12(17)7-10/h5-7,11,21H,8-9H2,1-4H3,(H2,19,20,22)/p+1