ethyl-(5-methyl-1,3-thiazolidin-3-ium-2-ylidene)azanium; hexanedioate

Systemtic Name: ethyl-(5-methyl-1,3-thiazolidin-3-ium-2-ylidene)azanium; hexanedioate Openeye Name: ethyl-(5-methylthiazolidin-3-ium-2-ylidene)ammonium; hexanedioate CAS Name: ethyl-(5-methyl-2-thiazolidin-3-iumylidene)ammonium; hexanedioate IUPAC Name: ethyl-(5-methyl-1,3-thiazolidin-3-ium-2-ylidene)azanium; hexanedioate Traditional Name: adipate; ethyl-(5-methylthiazolidin-3-ium-2-ylidene)ammonium Formula: C12H22N2O4S MolecularWeight: 290.37908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]=C1[NH2+]CC(S1)C.C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC[NH+]=C1[NH2+]CC(S1)C.C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C6H12N2S.C6H10O4/c1-3-7-6-8-4-5(2)9-6;7-5(8)3-1-2-4-6(9)10/h5H,3-4H2,1-2H3,(H,7,8);1-4H2,(H,7,8)(H,9,10)