N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide 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(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

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