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

Systemtic Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: methyl-[4-(methylcarbamoyl)benzyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-20-19(23)14-5-3-13(4-6-14)9-21(2)10-15-7-17(22(24)25)8-16-11-26-12-27-18(15)16/h3-8H,9-12H2,1-2H3,(H,20,23)/p+1