ethyl 4-(cyclopropylmethyl)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(NN=C2)C3=CC(=CC=C3)F)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(NN=C2)C3=CC(=CC=C3)F)CC4CC4

InChI

InChI=1S/C22H28FN3O2/c1-2-28-21(27)22(13-16-6-7-16)8-10-26(11-9-22)15-18-14-24-25-20(18)17-4-3-5-19(23)12-17/h3-5,12,14,16H,2,6-11,13,15H2,1H3,(H,24,25)/p+1