dimethyl-[[2-[[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[(3,4,5-trimethoxy-2-nitrobenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]methyl]benzyl]ammonium Formula: C20H26N3O6+ MolecularWeight: 404.43694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6/c1-22(2)12-14-9-7-6-8-13(14)11-21-20(24)15-10-16(27-3)18(28-4)19(29-5)17(15)23(25)26/h6-10H,11-12H2,1-5H3,(H,21,24)/p+1