methyl 3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: methyl 3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate Openeye Name: methyl 3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxylic acid methyl ester Formula: C15H19N2O3S+ MolecularWeight: 307.38796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3

InChI

InChI=1S/C15H18N2O3S/c1-20-15(19)10-5-6-12-11(9-10)16-13(18)14(21-12)17-7-3-2-4-8-17/h5-6,9,14H,2-4,7-8H2,1H3,(H,16,18)/p+1