N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]pyrazole-4-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]pyrazole-4-carboxamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O/c1-26-9-11-27(12-10-26)21-8-7-19(13-23-21)14-24-22(29)20-15-25-28(17-20)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3,(H,24,29)/p+1