5-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: 5-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1H-pyrazole-3-carboxamide Openeye Name: 5-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1H-pyrazole-3-carboxamide CAS Name: 5-ethyl-N-[[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methoxyethyl)-4-methyl-1H-pyrazole-3-carboxamide IUPAC Name: 5-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1H-pyrazole-3-carboxamide Traditional Name: 5-ethyl-N-[[1-(2-fluorobenzyl)piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1H-pyrazole-3-carboxamide Formula: C23H34FN4O2+ MolecularWeight: 417.540063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)C(=O)N(CCOC)CC2CC[NH+](CC2)CC3=CC=CC=C3F)C

Isomeric SMILES

CCC1=C(C(=NN1)C(=O)N(CCOC)CC2CC[NH+](CC2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C23H33FN4O2/c1-4-21-17(2)22(26-25-21)23(29)28(13-14-30-3)15-18-9-11-27(12-10-18)16-19-7-5-6-8-20(19)24/h5-8,18H,4,9-16H2,1-3H3,(H,25,26)/p+1