N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H29N5O2/c1-2-29-17-19(16-27-29)15-26-24(30)20-6-8-22(9-7-20)31-23-10-13-28(14-11-23)18-21-5-3-4-12-25-21/h3-9,12,16-17,23H,2,10-11,13-15,18H2,1H3,(H,26,30)/p+1