ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@](C2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H33N3O3/c1-4-26-17-20(19(3)24-26)16-25-14-9-12-23(18-25,22(27)28-5-2)13-15-29-21-10-7-6-8-11-21/h6-8,10-11,17H,4-5,9,12-16,18H2,1-3H3/p+1/t23-/m0/s1