ethyl 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(3,5-dimethyl-1-pyrazolyl)propan-2-yl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CN2C(=CC(=N2)C)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CN2C(=CC(=N2)C)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O3/c1-5-29-23(28)24(13-16-30-22-9-7-6-8-10-22)11-14-26(15-12-24)21(4)18-27-20(3)17-19(2)25-27/h6-10,17,21H,5,11-16,18H2,1-4H3/p+1/t21-/m1/s1