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

Systemtic Name: 1-[3-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 1-[3-(3,5-dichloro-4-hydroxy-phenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylic acid CAS Name: 1-[3-[(3,5-dichloro-4-hydroxyphenyl)thio]-1-oxopropyl]-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[3-(3,5-dichloro-4-hydroxyphenyl)sulfanylpropanoyl]pyrrolidin-1-ium-1-carboxylic acid Traditional Name: 1-[3-[(3,5-dichloro-4-hydroxy-phenyl)thio]propanoyl]pyrrolidin-1-ium-1-carboxylic acid Formula: C14H16Cl2NO4S+ MolecularWeight: 365.25214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)O

Isomeric SMILES

C1CC[N+](C1)(C(=O)CCSC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)O

InChI

InChI=1S/C14H15Cl2NO4S/c15-10-7-9(8-11(16)13(10)19)22-6-3-12(18)17(14(20)21)4-1-2-5-17/h7-8H,1-6H2,(H-,19,20,21)/p+1