triethyl-[5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]azanium bromide

Systemtic Name: triethyl-[5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentyl]azanium bromide Openeye Name: triethyl-[5-(5-nitro-1,3-dioxo-isoindolin-2-yl)pentyl]ammonium bromide CAS Name: triethyl-[5-(5-nitro-1,3-dioxo-2-isoindolyl)pentyl]ammonium bromide IUPAC Name: triethyl-[5-(5-nitro-1,3-dioxoisoindol-2-yl)pentyl]azanium bromide Traditional Name: 5-(1,3-diketo-5-nitro-isoindolin-2-yl)pentyl-triethyl-ammonium bromide Formula: C19H28BrN3O4 MolecularWeight: 442.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CCCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H28N3O4.BrH/c1-4-22(5-2,6-3)13-9-7-8-12-20-18(23)16-11-10-15(21(25)26)14-17(16)19(20)24;/h10-11,14H,4-9,12-13H2,1-3H3;1H/q+1;/p-1