5-phenyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 5-phenyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-phenyl-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-phenyl-3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]isoxazole IUPAC Name: 5-phenyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-phenyl-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S2/c22-26(23,18-7-4-12-25-18)21-10-8-20(9-11-21)14-16-13-17(24-19-16)15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2/p+1