ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-(o-tolylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]-3-(2-methylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCCC(C2)(CC3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCC[C@](C2)(CC3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C23H31N3O4/c1-4-29-21(27)20-19(14-24-25-20)15-26-12-8-11-23(16-26,22(28)30-5-2)13-18-10-7-6-9-17(18)3/h6-7,9-10,14H,4-5,8,11-13,15-16H2,1-3H3,(H,24,25)/p+1/t23-/m1/s1