ethyl (3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-3-(2-methoxyethyl)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=C(C=C(C=C2N3C=CC=N3)C)C)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C(C=C(C=C2N3C=CC=N3)C)C)CCOC

InChI

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