ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]-3-m-anisyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H32N3O5+ MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCCC(C2)(CC3=CC(=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC[C@](C2)(CC3=CC(=CC=C3)OC)C(=O)OCC

InChI

InChI=1S/C23H31N3O5/c1-4-30-21(27)20-18(14-24-25-20)15-26-11-7-10-23(16-26,22(28)31-5-2)13-17-8-6-9-19(12-17)29-3/h6,8-9,12,14H,4-5,7,10-11,13,15-16H2,1-3H3,(H,24,25)/p+1/t23-/m1/s1