4-nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoindole-1,3-dione IUPAC Name: 4-nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-nitro-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoindoline-1,3-quinone Formula: C18H16N3O4+ MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c22-17-14-6-3-7-15(21(24)25)16(14)18(23)20(17)11-19-9-8-12-4-1-2-5-13(12)10-19/h1-7H,8-11H2/p+1