(2-bromophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: (2-bromobenzyl)-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C17H18BrN2O4+ MolecularWeight: 394.23982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H17BrN2O4/c1-19(8-12-4-2-3-5-16(12)18)9-13-6-15(20(21)22)7-14-10-23-11-24-17(13)14/h2-7H,8-11H2,1H3/p+1