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

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-isobutyl-1H-pyrazole-3-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-5-isobutyl-1H-pyrazole-3-carboxamide Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)CC1=CC(=NN1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H28N6O2/c1-14(2)11-17-12-18(24-23-17)20(28)22-13-16-5-4-6-21-19(16)26-9-7-25(8-10-26)15(3)27/h4-6,12,14H,7-11,13H2,1-3H3,(H,22,28)(H,23,24)/p+1