7-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-nitro-quinolin-8-olate Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-10-7-18(8-11(2)23-10)9-12-6-14(19(21)22)13-4-3-5-17-15(13)16(12)20/h3-6,10-11,20H,7-9H2,1-2H3/t10-,11-/m0/s1