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

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H30N6OS+2 MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C20H28N6OS/c1-23-11-13-25(14-12-23)19(27)16-28-20-22-21-18(15-24-9-5-6-10-24)26(20)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16H2,1H3/p+2