1-(2-chloranyl-5-nitro-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Formula: C14H20ClN4O2S+ MolecularWeight: 343.8522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H19ClN4O2S/c1-2-18-7-3-4-11(18)9-16-14(22)17-13-8-10(19(20)21)5-6-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17,22)/p+1/t11-/m1/s1