ethyl (3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-m-anisyl-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[NH+]2CCCC(C2)(CC3=CC(=CC=C3)OC)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC[C@@](C2)(CC3=CC(=CC=C3)OC)C(=O)OCC)C

InChI

InChI=1S/C23H33N3O3/c1-5-26-18(3)20(15-24-26)16-25-12-8-11-23(17-25,22(27)29-6-2)14-19-9-7-10-21(13-19)28-4/h7,9-10,13,15H,5-6,8,11-12,14,16-17H2,1-4H3/p+1/t23-/m0/s1