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

Systemtic Name: 5-phenyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-phenyl-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-phenyl-3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-phenyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-phenyl-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole Formula: C22H24N3O3S+ MolecularWeight: 410.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c26-29(27,16-11-19-7-3-1-4-8-19)25-14-12-24(13-15-25)18-21-17-22(28-23-21)20-9-5-2-6-10-20/h1-11,16-17H,12-15,18H2/p+1/b16-11+