1-[2-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]ethyl]piperidin-1-ium-4-carboxylate Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-10-16(21)18-13-8-12(2-3-15(13)24-10)14(20)9-19-6-4-11(5-7-19)17(22)23/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,21)(H,22,23)/t10-/m1/s1