N-methyl-1,3-thiazinan-3-ium-2-imine; 6-oxidanyl-6-oxidanylidene-hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1[NH2+]CCCS1.C(CCC(=O)[O-])CC(=O)O

Isomeric SMILES

CN=C1[NH2+]CCCS1.C(CCC(=O)[O-])CC(=O)O

InChI

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