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

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiadiazole-4-carboxamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-4-thiadiazolecarboxamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]thiadiazole-4-carboxamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]thiadiazole-4-carboxamide Formula: C18H21N7OS+2 MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CSN=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=[NH+]3)CNC(=O)C4=CSN=N4

InChI

InChI=1S/C18H19N7OS/c26-18(15-13-27-23-22-15)21-12-14-4-3-7-20-17(14)25-10-8-24(9-11-25)16-5-1-2-6-19-16/h1-7,13H,8-12H2,(H,21,26)/p+2