ethyl (3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-m-anisyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H38N3O3+ MolecularWeight: 428.58752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=C(N(N=C2C)C(C)C)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C(N(N=C2C)C(C)C)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H37N3O3/c1-7-31-24(29)25(15-21-10-8-11-22(14-21)30-6)12-9-13-27(17-25)16-23-19(4)26-28(18(2)3)20(23)5/h8,10-11,14,18H,7,9,12-13,15-17H2,1-6H3/p+1/t25-/m0/s1