[5-(2-azaniumylethylsulfanylmethyl)furan-2-yl]methyl-dimethyl-azanium; ethanedioate

Systemtic Name: [5-(2-azaniumylethylsulfanylmethyl)furan-2-yl]methyl-dimethyl-azanium; ethanedioate Openeye Name: [5-(2-azaniumylethylsulfanylmethyl)-2-furyl]methyl-dimethyl-ammonium; oxalate CAS Name: [5-[(2-ammonioethylthio)methyl]-2-furanyl]methyl-dimethylammonium; oxalate IUPAC Name: [5-(2-azaniumylethylsulfanylmethyl)furan-2-yl]methyl-dimethylazanium; oxalate Traditional Name: [5-[(2-ammonioethylthio)methyl]-2-furyl]methyl-dimethyl-ammonium; oxalate Formula: C12H20N2O5S MolecularWeight: 304.3626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(O1)CSCC[NH3+].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(O1)CSCC[NH3+].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C10H18N2OS.C2H2O4/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11;3-1(4)2(5)6/h3-4H,5-8,11H2,1-2H3;(H,3,4)(H,5,6)