N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-1-(2-methoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)C(=O)NC3CCC[NH+](C3)CC4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H25FN4O2/c1-30-22-11-5-4-10-21(22)28-15-18(13-25-28)23(29)26-19-8-6-12-27(16-19)14-17-7-2-3-9-20(17)24/h2-5,7,9-11,13,15,19H,6,8,12,14,16H2,1H3,(H,26,29)/p+1/t19-/m0/s1