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

Systemtic Name: ethyl 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-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:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C24H35N3O3/c1-5-27-20(4)22(19(3)25-27)18-26-15-12-24(13-16-26,23(28)29-6-2)14-17-30-21-10-8-7-9-11-21/h7-11H,5-6,12-18H2,1-4H3/p+1