ethyl 1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H38N3O3+ MolecularWeight: 440.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=C(C=C2N3C=CC=N3)C)C)CC4CCCCO4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=C(C=C2N3C=CC=N3)C)C)C[C@H]4CCCCO4

InChI

InChI=1S/C26H37N3O3/c1-4-31-25(30)26(18-22-8-5-6-15-32-22)9-13-28(14-10-26)19-23-21(3)16-20(2)17-24(23)29-12-7-11-27-29/h7,11-12,16-17,22H,4-6,8-10,13-15,18-19H2,1-3H3/p+1/t22-/m1/s1