1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C20H24ClFN3OS+ MolecularWeight: 408.940463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NC2=CC(=C(C=C2)F)Cl)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NC2=CC(=C(C=C2)F)Cl)[NH+]3CCCC3

InChI

InChI=1S/C20H23ClFN3OS/c1-26-16-7-4-14(5-8-16)19(25-10-2-3-11-25)13-23-20(27)24-15-6-9-18(22)17(21)12-15/h4-9,12,19H,2-3,10-11,13H2,1H3,(H2,23,24,27)/p+1/t19-/m0/s1