diethyl-[(2S)-1-[(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)amino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)amino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(morpholine-4-carbonyl)-2-nitro-anilino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[4-[4-morpholinyl(oxo)methyl]-2-nitroanilino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[4-(morpholine-4-carbonyl)-2-nitroanilino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-(morpholine-4-carbonyl)-2-nitro-anilino]ethyl]-diethyl-ammonium Formula: C24H33N4O4+ MolecularWeight: 441.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O4/c1-3-26(4-2)21(16-19-8-6-5-7-9-19)18-25-22-11-10-20(17-23(22)28(30)31)24(29)27-12-14-32-15-13-27/h5-11,17,21,25H,3-4,12-16,18H2,1-2H3/p+1/t21-/m0/s1