4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]-2-(3-thienyl)thiazole Formula: C18H20N3O2S3+ MolecularWeight: 406.5653

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O2S3/c22-26(23,17-4-2-1-3-5-17)21-9-7-20(8-10-21)12-16-14-25-18(19-16)15-6-11-24-13-15/h1-6,11,13-14H,7-10,12H2/p+1