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

Systemtic Name: 3-ethanoyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-acetyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-acetyl-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-acetyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-acetyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-1H-pyrazole-5-carboxamide Formula: C17H23N6O2+ MolecularWeight: 343.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NNC(=C1)C(=O)NCC2=C(N=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=NNC(=C1)C(=O)NCC2=C(N=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H22N6O2/c1-12(24)14-10-15(21-20-14)17(25)19-11-13-4-3-5-18-16(13)23-8-6-22(2)7-9-23/h3-5,10H,6-9,11H2,1-2H3,(H,19,25)(H,20,21)/p+1