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

Systemtic Name: methyl (2R)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCCC3C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCCC[C@@H]3C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-29-21-12-8-9-18(15-21)23-19(17-27(25-23)20-10-4-3-5-11-20)16-26-14-7-6-13-22(26)24(28)30-2/h3-5,8-12,15,17,22H,6-7,13-14,16H2,1-2H3/p+1/t22-/m1/s1