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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C19H22ClFN3S+ MolecularWeight: 378.914483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClFN3S/c20-16-12-15(8-9-17(16)21)23-19(25)22-13-18(24-10-4-5-11-24)14-6-2-1-3-7-14/h1-3,6-9,12,18H,4-5,10-11,13H2,(H2,22,23,25)/p+1/t18-/m0/s1