4-nitro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C20H18N3O4+ MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4/c24-19-16-7-4-8-17(23(26)27)18(16)20(25)22(19)13-21-11-9-15(10-12-21)14-5-2-1-3-6-14/h1-9H,10-13H2/p+1