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

Systemtic Name: diethyl-[[4-[[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(2-morpholino-5-nitro-benzoyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(2-morpholin-4-yl-5-nitrobenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(2-morpholino-5-nitro-benzoyl)amino]methyl]benzyl]ammonium Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-3-25(4-2)17-19-7-5-18(6-8-19)16-24-23(28)21-15-20(27(29)30)9-10-22(21)26-11-13-31-14-12-26/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,24,28)/p+1