[5-(2-nitrophenyl)furan-2-yl]methyl-tripropyl-azanium bromide

Systemtic Name: [5-(2-nitrophenyl)furan-2-yl]methyl-tripropyl-azanium bromide Openeye Name: [5-(2-nitrophenyl)-2-furyl]methyl-tripropyl-ammonium bromide CAS Name: [5-(2-nitrophenyl)-2-furanyl]methyl-tripropylammonium bromide IUPAC Name: [5-(2-nitrophenyl)furan-2-yl]methyl-tripropylazanium bromide Traditional Name: [5-(2-nitrophenyl)-2-furyl]methyl-tripropyl-ammonium bromide Formula: C20H29BrN2O3 MolecularWeight: 425.35986

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CC1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-].[Br-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CC1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H29N2O3.BrH/c1-4-13-22(14-5-2,15-6-3)16-17-11-12-20(25-17)18-9-7-8-10-19(18)21(23)24;/h7-12H,4-6,13-16H2,1-3H3;1H/q+1;/p-1