[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C24H30N3O7+ MolecularWeight: 472.5109

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[NH+]4CCOCC4

InChI

InChI=1S/C24H29N3O7/c28-22(25-17-24(10-2-1-3-11-24)26-12-14-32-15-13-26)16-33-23(29)21-9-8-20(34-21)18-4-6-19(7-5-18)27(30)31/h4-9H,1-3,10-17H2,(H,25,28)/p+1