[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic 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-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C24H33N4O5+ MolecularWeight: 457.54262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O5/c1-31-20-16-28(19-8-4-2-5-9-19)26-22(20)23(30)33-17-21(29)25-18-24(10-6-3-7-11-24)27-12-14-32-15-13-27/h2,4-5,8-9,16H,3,6-7,10-15,17-18H2,1H3,(H,25,29)/p+1