N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-benzamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-2-(1-pyrazolyl)benzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-ylbenzamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-benzamide Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C22H24N6O2/c1-17(29)26-12-14-27(15-13-26)21-18(6-4-9-23-21)16-24-22(30)19-7-2-3-8-20(19)28-11-5-10-25-28/h2-11H,12-16H2,1H3,(H,24,30)/p+1