1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]thiourea Formula: C16H25ClN3S+ MolecularWeight: 326.9078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C16H24ClN3S/c1-4-20-7-5-6-13(20)10-18-16(21)19-15-12(3)8-11(2)9-14(15)17/h8-9,13H,4-7,10H2,1-3H3,(H2,18,19,21)/p+1/t13-/m1/s1