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

Systemtic Name: diethyl-[(2S)-4-methyl-1-[(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)amino]pentan-2-yl]azanium Openeye Name: diethyl-[(1S)-3-methyl-1-[[4-(morpholine-4-carbonyl)-2-nitro-anilino]methyl]butyl]ammonium CAS Name: diethyl-[(2S)-4-methyl-1-[4-[4-morpholinyl(oxo)methyl]-2-nitroanilino]pentan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-4-methyl-1-[4-(morpholine-4-carbonyl)-2-nitroanilino]pentan-2-yl]azanium Traditional Name: diethyl-[(1S)-3-methyl-1-[[4-(morpholine-4-carbonyl)-2-nitro-anilino]methyl]butyl]ammonium Formula: C21H35N4O4+ MolecularWeight: 407.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O4/c1-5-23(6-2)18(13-16(3)4)15-22-19-8-7-17(14-20(19)25(27)28)21(26)24-9-11-29-12-10-24/h7-8,14,16,18,22H,5-6,9-13,15H2,1-4H3/p+1/t18-/m0/s1