dimethyl-[(1S)-2-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(2-morpholino-5-nitro-benzoyl)amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(2-morpholino-5-nitro-benzoyl)amino]-1-phenyl-ethyl]ammonium Formula: C21H27N4O4+ MolecularWeight: 399.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4/c1-23(2)20(16-6-4-3-5-7-16)15-22-21(26)18-14-17(25(27)28)8-9-19(18)24-10-12-29-13-11-24/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,26)/p+1/t20-/m1/s1