dimethyl-[[2-[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]methyl]benzyl]ammonium Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

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