2-[2-(dimethylazaniumyl)ethylsulfanyl]ethyl-dimethyl-azanium; 4-oxidanylbenzoate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]ethyl-dimethyl-azanium; 4-oxidanylbenzoate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]ethyl-dimethyl-ammonium; 4-hydroxybenzoate CAS Name: 2-[2-(dimethylammonio)ethylthio]ethyl-dimethylammonium; 4-hydroxybenzoate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]ethyl-dimethylazanium; 4-hydroxybenzoate Traditional Name: 2-[2-(dimethylammonio)ethylthio]ethyl-dimethyl-ammonium; 4-hydroxybenzoate Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSCC[NH+](C)C.C1=CC(=CC=C1C(=O)[O-])O.C1=CC(=CC=C1C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CCSCC[NH+](C)C.C1=CC(=CC=C1C(=O)[O-])O.C1=CC(=CC=C1C(=O)[O-])O

InChI

InChI=1S/C8H20N2S.2C7H6O3/c1-9(2)5-7-11-8-6-10(3)4;2*8-6-3-1-5(2-4-6)7(9)10/h5-8H2,1-4H3;2*1-4,8H,(H,9,10)