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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-11-17(22)19(2)14-8-12(5-6-16(14)25-11)15(21)10-20-7-3-4-13(9-20)18(23)24/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,23,24)/t11-,13+/m0/s1