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

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

CCCN1C(=C(C=N1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)C

InChI

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