1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NN=C1SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-25-17-23-24-22(25)29-16-20(28)26-12-14-27(15-13-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,21H,12-16H2,1H3/p+1