1-ethyl-2-(furan-2-ylmethylsulfinyl)-1-methyl-guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-ethyl-2-(furan-2-ylmethylsulfinyl)-1-methyl-guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-ethyl-2-(2-furylmethylsulfinyl)-1-methyl-guanidine citrate CAS Name: 1-ethyl-2-(2-furanylmethylsulfinyl)-1-methylguanidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-ethyl-2-(furan-2-ylmethylsulfinyl)-1-methylguanidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-ethyl-2-(2-furfurylsulfinyl)-1-methyl-guanidine citrate Formula: C15H20N3O9S-3 MolecularWeight: 418.399

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=NS(=O)CC1=CC=CO1)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(C)/C(=N\S(=O)CC1=CC=CO1)/N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C9H15N3O2S.C6H8O7/c1-3-12(2)9(10)11-15(13)7-8-5-4-6-14-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6H,3,7H2,1-2H3,(H2,10,11);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3