[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C23H32ClN2O5+ MolecularWeight: 451.96358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl)[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl)[NH+]3CCOCC3

InChI

InChI=1S/C23H31ClN2O5/c24-19-6-4-18(5-7-19)20(27)8-9-22(29)31-16-21(28)25-17-23(10-2-1-3-11-23)26-12-14-30-15-13-26/h4-7H,1-3,8-17H2,(H,25,28)/p+1