ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-phenethyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-phenethylpiperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@](C2)(CCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O2/c1-3-25-17-20(15-23-25)16-24-14-8-12-22(18-24,21(26)27-4-2)13-11-19-9-6-5-7-10-19/h5-7,9-10,15,17H,3-4,8,11-14,16,18H2,1-2H3/p+1/t22-/m0/s1