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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C17H20ClFN3OS+ MolecularWeight: 368.876603

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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=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=S)NC2=CC(=C(C=C2)F)Cl)C3=CC=CO3

InChI

InChI=1S/C17H19ClFN3OS/c18-13-10-12(5-6-14(13)19)21-17(24)20-11-15(16-4-3-9-23-16)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11H2,(H2,20,21,24)/p+1/t15-/m0/s1