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

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-3-(1-methyl-2-pyrrolyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Formula: C20H26N7O+ MolecularWeight: 380.46674

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CC(=NN3)C4=CC=CN4C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=CC(=NN3)C4=CC=CN4C

InChI

InChI=1S/C20H25N7O/c1-25-9-11-27(12-10-25)19-15(5-3-7-21-19)14-22-20(28)17-13-16(23-24-17)18-6-4-8-26(18)2/h3-8,13H,9-12,14H2,1-2H3,(H,22,28)(H,23,24)/p+1