1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C17H20ClN4O3S+ MolecularWeight: 395.8837

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O3S/c18-13-6-5-12(22(23)24)10-14(13)20-17(26)19-11-15(16-4-3-9-25-16)21-7-1-2-8-21/h3-6,9-10,15H,1-2,7-8,11H2,(H2,19,20,26)/p+1/t15-/m0/s1