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

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)isoxazole Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

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