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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(C)[NH+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)C(=O)[C@H](C)[NH+]3CCC[C@H](C3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O5/c1-10(20-7-3-4-13(9-20)18(23)24)16(21)12-5-6-15-14(8-12)19-17(22)11(2)25-15/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,19,22)(H,23,24)/t10-,11+,13+/m0/s1