[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl ester IUPAC Name: [(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4/c1-15(2)11-22-9-10-26-17(12-22)14-27-20(24)19-18(25-3)13-23(21-19)16-7-5-4-6-8-16/h4-8,13,15,17H,9-12,14H2,1-3H3/p+1/t17-/m1/s1