[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C=CC2=NC3=CC=CC=C3N=C2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2)[NH+]4CCOCC4

InChI

InChI=1S/C24H30N4O4/c29-22(26-18-24(10-4-1-5-11-24)28-12-14-31-15-13-28)17-32-23(30)9-8-19-16-25-20-6-2-3-7-21(20)27-19/h2-3,6-9,16H,1,4-5,10-15,17-18H2,(H,26,29)/p+1/b9-8+