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

Systemtic Name: ethyl 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]-4-m-anisyl-piperidin-1-ium-4-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+]2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC

InChI

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