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

Systemtic Name: 4-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiadiazole-5-carboxamide Traditional Name: 4-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]thiadiazole-5-carboxamide Formula: C19H23N7OS+2 MolecularWeight: 397.49722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(SN=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N7OS/c1-14-17(28-24-23-14)19(27)22-13-15-5-4-8-21-18(15)26-11-9-25(10-12-26)16-6-2-3-7-20-16/h2-8H,9-13H2,1H3,(H,22,27)/p+2