[(2R)-3-methyl-1-[(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)amino]butan-2-yl]-bis(prop-2-enyl)azanium

Systemtic Name: [(2R)-3-methyl-1-[(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)amino]butan-2-yl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(1R)-2-methyl-1-[[4-(morpholine-4-carbonyl)-2-nitro-anilino]methyl]propyl]ammonium CAS Name: [(2R)-3-methyl-1-[4-[4-morpholinyl(oxo)methyl]-2-nitroanilino]butan-2-yl]-bis(prop-2-enyl)ammonium IUPAC Name: [(2R)-3-methyl-1-[4-(morpholine-4-carbonyl)-2-nitroanilino]butan-2-yl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(1R)-2-methyl-1-[[4-(morpholine-4-carbonyl)-2-nitro-anilino]methyl]propyl]ammonium Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)C(=O)N2CCOCC2)[N+](=O)[O-])[NH+](CC=C)CC=C

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)C(=O)N2CCOCC2)[N+](=O)[O-])[NH+](CC=C)CC=C

InChI

InChI=1S/C22H32N4O4/c1-5-9-24(10-6-2)21(17(3)4)16-23-19-8-7-18(15-20(19)26(28)29)22(27)25-11-13-30-14-12-25/h5-8,15,17,21,23H,1-2,9-14,16H2,3-4H3/p+1/t21-/m0/s1