2-(1-butylpiperidin-1-ium-1-yl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(1-butylpiperidin-1-ium-1-yl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(1-butylpiperidin-1-ium-1-yl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(1-butyl-1-piperidin-1-iumyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(1-butylpiperidin-1-ium-1-yl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(1-butylpiperidin-1-ium-1-yl)-5-nitro-isoindoline-1,3-quinone Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCCC1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC[N+]1(CCCCC1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N3O4/c1-2-3-9-20(10-5-4-6-11-20)18-16(21)14-8-7-13(19(23)24)12-15(14)17(18)22/h7-8,12H,2-6,9-11H2,1H3/q+1