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

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-(1-methyl-2-pyrrolyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Formula: C21H26N7O2+ MolecularWeight: 408.47684

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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=CN4C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC(=NN3)C4=CC=CN4C

InChI

InChI=1S/C21H25N7O2/c1-15(29)27-9-11-28(12-10-27)20-16(5-3-7-22-20)14-23-21(30)18-13-17(24-25-18)19-6-4-8-26(19)2/h3-8,13H,9-12,14H2,1-2H3,(H,23,30)(H,24,25)/p+1