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

Systemtic Name: ethyl 1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)CC(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)CC(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O2/c1-4-29-23(28)24(11-10-20-8-6-5-7-9-20)12-14-27(15-13-24)18-22-17-21(25-26-22)16-19(2)3/h5-9,17,19H,4,10-16,18H2,1-3H3,(H,25,26)/p+1