2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]ethanamide Openeye Name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]acetamide CAS Name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]acetamide Traditional Name: 2-(4-methylfurazan-3-yl)-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]acetamide Formula: C20H25N7O2+2 MolecularWeight: 395.4582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NON=C1CC(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NON=C1CC(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N7O2/c1-15-17(25-29-24-15)13-19(28)23-14-16-5-4-8-22-20(16)27-11-9-26(10-12-27)18-6-2-3-7-21-18/h2-8H,9-14H2,1H3,(H,23,28)/p+2