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

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31FN3O2+ MolecularWeight: 388.498843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)C(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)C(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H30FN3O2/c1-4-28-21(27)22(14-17-6-5-7-18(23)12-17)8-10-26(11-9-22)15-19-13-20(16(2)3)25-24-19/h5-7,12-13,16H,4,8-11,14-15H2,1-3H3,(H,24,25)/p+1