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

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: 2-(4-bromophenoxy)ethyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: 2-(4-bromophenoxy)ethyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: 2-(4-bromophenoxy)ethyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C18H20BrN2O5+ MolecularWeight: 424.2658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Br)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Br)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H19BrN2O5/c1-20(6-7-25-17-4-2-15(19)3-5-17)10-13-8-16(21(22)23)9-14-11-24-12-26-18(13)14/h2-5,8-9H,6-7,10-12H2,1H3/p+1