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

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C17H27FN3S+ MolecularWeight: 324.479783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C)F

InChI

InChI=1S/C17H26FN3S/c1-11-6-7-12(8-14(11)18)19-15(22)20-13-9-16(2,3)21-17(4,5)10-13/h6-8,13,21H,9-10H2,1-5H3,(H2,19,20,22)/p+1