2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C15H24N5OS+ MolecularWeight: 322.44896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C15H23N5OS/c1-18-6-8-19(9-7-18)13(21)10-22-15-17-16-14(11-2-3-11)20(15)12-4-5-12/h11-12H,2-10H2,1H3/p+1