5-(3-fluorophenyl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(3-fluorophenyl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(3-fluorophenyl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide CAS Name: 5-(3-fluorophenyl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(3-fluorophenyl)-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(3-fluorophenyl)-N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC(=O)C3=C(NN=C3)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C3=C(NN=C3)C4=CC(=CC=C4)F

InChI

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