N,5-dimethyl-1,3-thiazolidin-3-ium-2-imine; 6-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: N,5-dimethyl-1,3-thiazolidin-3-ium-2-imine; 6-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: N,5-dimethylthiazolidin-3-ium-2-imine; 6-hydroxy-6-oxo-hexanoate CAS Name: N,5-dimethyl-2-thiazolidin-3-iumimine; 6-hydroxy-6-oxohexanoate IUPAC Name: N,5-dimethyl-1,3-thiazolidin-3-ium-2-imine; 6-hydroxy-6-oxohexanoate Traditional Name: 6-hydroxy-6-keto-hexanoate; methyl-(5-methylthiazolidin-3-ium-2-ylidene)amine Formula: C11H20N2O4S MolecularWeight: 276.3525

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C(=NC)S1.C(CCC(=O)[O-])CC(=O)O

Isomeric SMILES

CC1C[NH2+]C(=NC)S1.C(CCC(=O)[O-])CC(=O)O

InChI

InChI=1S/C6H10O4.C5H10N2S/c7-5(8)3-1-2-4-6(9)10;1-4-3-7-5(6-2)8-4/h1-4H2,(H,7,8)(H,9,10);4H,3H2,1-2H3,(H,6,7)