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

Systemtic Name: 1-ethyl-2-(furan-2-ylmethylsulfinyl)-1-propan-2-yl-guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-ethyl-2-(2-furylmethylsulfinyl)-1-isopropyl-guanidine citrate CAS Name: 1-ethyl-2-(2-furanylmethylsulfinyl)-1-propan-2-ylguanidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-ethyl-2-(furan-2-ylmethylsulfinyl)-1-propan-2-ylguanidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-ethyl-2-(2-furfurylsulfinyl)-1-isopropyl-guanidine citrate Formula: C17H24N3O9S-3 MolecularWeight: 446.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C11H19N3O2S.C6H8O7/c1-4-14(9(2)3)11(12)13-17(15)8-10-6-5-7-16-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,9H,4,8H2,1-3H3,(H2,12,13);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3