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

Systemtic Name: 1-[2-[(2R)-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[(2R)-3-keto-2,4-dimethyl-1,4-benzoxazin-6-yl]ethyl]piperidin-1-ium-4-carboxylate Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-11-17(22)19(2)14-9-13(3-4-16(14)25-11)15(21)10-20-7-5-12(6-8-20)18(23)24/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,23,24)/t11-/m1/s1