methyl (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H]1CCCC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N3O4/c1-29-24(28)20-9-5-6-12-26(20)14-18-15-27(19-7-3-2-4-8-19)25-23(18)17-10-11-21-22(13-17)31-16-30-21/h2-4,7-8,10-11,13,15,20H,5-6,9,12,14,16H2,1H3/p+1/t20-/m1/s1