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

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

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)CC(C)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)CC(C)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O3/c1-4-29-23(28)24(12-15-30-22-8-6-5-7-9-22)10-13-27(14-11-24)18-21-17-20(25-26-21)16-19(2)3/h5-9,17,19H,4,10-16,18H2,1-3H3,(H,25,26)/p+1