2-pyrazol-1-yl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: 2-pyrazol-1-yl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]ethanamide Openeye Name: 2-pyrazol-1-yl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]acetamide CAS Name: 2-(1-pyrazolyl)-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-pyrazol-1-yl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]acetamide Traditional Name: 2-pyrazol-1-yl-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]acetamide Formula: C20H25N7O+2 MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)CN4C=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)CN4C=CC=N4

InChI

InChI=1S/C20H23N7O/c28-19(16-27-10-4-9-24-27)23-15-17-5-3-8-22-20(17)26-13-11-25(12-14-26)18-6-1-2-7-21-18/h1-10H,11-16H2,(H,23,28)/p+2