dimethyl-[[4-[[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[(2-morpholino-5-nitro-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[(2-morpholin-4-yl-5-nitrobenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[(2-morpholino-5-nitro-benzoyl)amino]methyl]benzyl]ammonium Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H26N4O4/c1-23(2)15-17-5-3-16(4-6-17)14-22-21(26)19-13-18(25(27)28)7-8-20(19)24-9-11-29-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)/p+1