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

Systemtic Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H33N6O3S2+ MolecularWeight: 493.66582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H32N6O3S2/c1-3-28-21(23-24-22(28)32-17-20(29)26-11-5-4-6-12-26)18-7-9-19(10-8-18)33(30,31)27-15-13-25(2)14-16-27/h7-10H,3-6,11-17H2,1-2H3/p+1