methyl 1-[3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: methyl 1-[3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: methyl 1-[3-(3,5-dichloro-4-hydroxy-phenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[3-[(3,5-dichloro-4-hydroxyphenyl)thio]-1-oxopropyl]-1-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(3,5-dichloro-4-hydroxyphenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[3-[(3,5-dichloro-4-hydroxy-phenyl)thio]propanoyl]pyrrolidin-1-ium-1-carboxylic acid methyl ester Formula: C15H18Cl2NO4S+ MolecularWeight: 379.27872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1(CCCC1)C(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl

Isomeric SMILES

COC(=O)[N+]1(CCCC1)C(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl

InChI

InChI=1S/C15H17Cl2NO4S/c1-22-15(21)18(5-2-3-6-18)13(19)4-7-23-10-8-11(16)14(20)12(17)9-10/h8-9H,2-7H2,1H3/p+1