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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 2-(2-thienyl)-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S2/c1-15-4-6-17(7-5-15)27(23,24)22-10-8-21(9-11-22)13-16-14-25-19(20-16)18-3-2-12-26-18/h2-7,12,14H,8-11,13H2,1H3/p+1