ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-m-anisyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)(CC3=CC(=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@](C2)(CC3=CC(=CC=C3)OC)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-4-25-16-19(14-23-25)15-24-11-7-10-22(17-24,21(26)28-5-2)13-18-8-6-9-20(12-18)27-3/h6,8-9,12,14,16H,4-5,7,10-11,13,15,17H2,1-3H3/p+1/t22-/m1/s1