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

Systemtic Name: [4,5-dimethyl-2-(2-phenoxyethyl)pyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate Openeye Name: [4,5-dimethyl-2-(2-phenoxyethyl)pyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate CAS Name: 1-ethyl-1-piperidin-1-iumcarboxylic acid [4,5-dimethyl-2-(2-phenoxyethyl)-3-pyrazolyl] ester IUPAC Name: [4,5-dimethyl-2-(2-phenoxyethyl)pyrazol-3-yl] 1-ethylpiperidin-1-ium-1-carboxylate Traditional Name: 1-ethylpiperidin-1-ium-1-carboxylic acid [4,5-dimethyl-2-(2-phenoxyethyl)pyrazol-3-yl] ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)C(=O)OC2=C(C(=NN2CCOC3=CC=CC=C3)C)C

Isomeric SMILES

CC[N+]1(CCCCC1)C(=O)OC2=C(C(=NN2CCOC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H30N3O3/c1-4-24(14-9-6-10-15-24)21(25)27-20-17(2)18(3)22-23(20)13-16-26-19-11-7-5-8-12-19/h5,7-8,11-12H,4,6,9-10,13-16H2,1-3H3/q+1