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

Systemtic Name: 5-(furan-2-yl)-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-(2-furanyl)-3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/c24-28(25,14-8-17-5-2-1-3-6-17)23-11-9-22(10-12-23)16-18-15-20(27-21-18)19-7-4-13-26-19/h1-8,13-15H,9-12,16H2/p+1/b14-8+