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

Systemtic Name: 5-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]isoxazole-3-carboxamide CAS Name: 5-methyl-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]isoxazole-3-carboxamide Formula: C20H24N6O2+2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=NO1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N6O2/c1-15-13-17(24-28-15)20(27)23-14-16-5-4-8-22-19(16)26-11-9-25(10-12-26)18-6-2-3-7-21-18/h2-8,13H,9-12,14H2,1H3,(H,23,27)/p+2