N-[[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-30-21-8-6-18(7-9-21)22-20(14-26-27-22)16-28-11-3-4-17(15-28)12-25-23(29)19-5-2-10-24-13-19/h2,5-10,13-14,17H,3-4,11-12,15-16H2,1H3,(H,25,29)(H,26,27)/p+1/t17-/m1/s1