ethyl 4-[[(3R)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[(3R)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3R)-3-(4-methoxy-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3R)-3-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3R)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3R)-3-(4-methoxy-2-methyl-benzoyl)piperidin-1-ium-1-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC[C@H](C2)C(=O)C3=C(C=C(C=C3)OC)C

InChI

InChI=1S/C21H27N3O4/c1-4-28-21(26)19-16(11-22-23-19)13-24-9-5-6-15(12-24)20(25)18-8-7-17(27-3)10-14(18)2/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)/p+1/t15-/m1/s1