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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-10(20-7-5-12(6-8-20)18(23)24)16(21)13-3-4-15-14(9-13)19-17(22)11(2)25-15/h3-4,9-12H,5-8H2,1-2H3,(H,19,22)(H,23,24)/t10-,11+/m0/s1