N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H28N6OS+2 MolecularWeight: 388.53022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H26N6OS/c26-17(21-19-23-22-18(27-19)15-6-2-1-3-7-15)14-24-10-12-25(13-11-24)16-8-4-5-9-20-16/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,23,26)/p+2