1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[1-(4-methyl-1-piperidin-1-iumyl)cyclohexyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[[1-(4-methylpiperidin-1-ium-1-yl)cyclohexyl]methyl]thiourea Formula: C20H30ClFN3S+ MolecularWeight: 398.988703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1CC[NH+](CC1)C2(CCCCC2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H29ClFN3S/c1-15-7-11-25(12-8-15)20(9-3-2-4-10-20)14-23-19(26)24-16-5-6-18(22)17(21)13-16/h5-6,13,15H,2-4,7-12,14H2,1H3,(H2,23,24,26)/p+1