ethyl (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-methoxyethyl)-1-(5-methyl-2-pyrazol-1-yl-benzyl)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=C(C=CC(=C2)C)N3C=CC=N3)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C(C=CC(=C2)C)N3C=CC=N3)CCOC

InChI

InChI=1S/C22H31N3O3/c1-4-28-21(26)22(10-14-27-3)9-5-12-24(17-22)16-19-15-18(2)7-8-20(19)25-13-6-11-23-25/h6-8,11,13,15H,4-5,9-10,12,14,16-17H2,1-3H3/p+1/t22-/m0/s1