4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-28(25,14-8-17-5-2-1-3-6-17)23-11-9-22(10-12-23)15-18-16-26-20(21-18)19-7-4-13-27-19/h1-8,13-14,16H,9-12,15H2/p+1/b14-8+