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

Systemtic Name: 1-ethyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]pyrazole-4-carboxamide Openeye Name: 1-ethyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]pyrazole-4-carboxamide CAS Name: 1-ethyl-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-ethyl-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]pyrazole-4-carboxamide Formula: C17H25N6O+ MolecularWeight: 329.42

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NCC2=C(N=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NCC2=C(N=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H24N6O/c1-3-23-13-15(12-20-23)17(24)19-11-14-5-4-6-18-16(14)22-9-7-21(2)8-10-22/h4-6,12-13H,3,7-11H2,1-2H3,(H,19,24)/p+1