diethyl-[(2S)-3-methyl-1-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]butan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-3-methyl-1-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]butan-2-yl]azanium Openeye Name: diethyl-[(1S)-2-methyl-1-[[(4-morpholino-3-nitro-benzoyl)amino]methyl]propyl]ammonium CAS Name: diethyl-[(2S)-3-methyl-1-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]butan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-3-methyl-1-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butan-2-yl]azanium Traditional Name: diethyl-[(1S)-2-methyl-1-[[(4-morpholino-3-nitro-benzoyl)amino]methyl]propyl]ammonium Formula: C20H33N4O4+ MolecularWeight: 393.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H32N4O4/c1-5-22(6-2)19(15(3)4)14-21-20(25)16-7-8-17(18(13-16)24(26)27)23-9-11-28-12-10-23/h7-8,13,15,19H,5-6,9-12,14H2,1-4H3,(H,21,25)/p+1/t19-/m1/s1