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

Systemtic Name: ethyl (3R)-3-(2-methoxyethyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-(2-methoxyethyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-(2-methoxyethyl)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(2-methoxyethyl)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-(2-methoxyethyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3)C)CCOC

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3)C)CCOC

InChI

InChI=1S/C22H31N3O3/c1-4-28-21(26)22(12-14-27-3)11-8-13-25(17-22)16-19-15-24(2)23-20(19)18-9-6-5-7-10-18/h5-7,9-10,15H,4,8,11-14,16-17H2,1-3H3/p+1/t22-/m1/s1