[5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] 1-methylpiperidin-1-ium-1-carboxylate

Systemtic Name: [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] 1-methylpiperidin-1-ium-1-carboxylate Openeye Name: [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] 1-methylpiperidin-1-ium-1-carboxylate CAS Name: 1-methyl-1-piperidin-1-iumcarboxylic acid [5-methyl-2-(2-phenoxyethyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] 1-methylpiperidin-1-ium-1-carboxylate Traditional Name: 1-methylpiperidin-1-ium-1-carboxylic acid [5-methyl-2-(2-phenoxyethyl)pyrazol-3-yl] ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)[N+]2(CCCCC2)C)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)[N+]2(CCCCC2)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H26N3O3/c1-16-15-18(25-19(23)22(2)12-7-4-8-13-22)21(20-16)11-14-24-17-9-5-3-6-10-17/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3/q+1