cyclohexyl-methyl-[3-[(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)amino]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[3-[(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)amino]propyl]azanium Openeye Name: cyclohexyl-methyl-[3-[4-(morpholine-4-carbonyl)-2-nitro-anilino]propyl]ammonium CAS Name: cyclohexyl-methyl-[3-[4-[4-morpholinyl(oxo)methyl]-2-nitroanilino]propyl]ammonium IUPAC Name: cyclohexyl-methyl-[3-[4-(morpholine-4-carbonyl)-2-nitroanilino]propyl]azanium Traditional Name: cyclohexyl-methyl-[3-[4-(morpholine-4-carbonyl)-2-nitro-anilino]propyl]ammonium Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC1=C(C=C(C=C1)C(=O)N2CCOCC2)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

C[NH+](CCCNC1=C(C=C(C=C1)C(=O)N2CCOCC2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C21H32N4O4/c1-23(18-6-3-2-4-7-18)11-5-10-22-19-9-8-17(16-20(19)25(27)28)21(26)24-12-14-29-15-13-24/h8-9,16,18,22H,2-7,10-15H2,1H3/p+1