ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-isopropylpyrazol-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:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN(N=C2)C(C)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN(N=C2)C(C)C)CC3=CC(=CC=C3)OC

InChI

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