2-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H23N4O6+ MolecularWeight: 403.40912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C19H22N4O6/c24-17(21-7-9-29-10-8-21)13-3-2-6-20(11-13)12-22-18(25)14-4-1-5-15(23(27)28)16(14)19(22)26/h1,4-5,13H,2-3,6-12H2/p+1/t13-/m0/s1