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

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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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=C(C=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-17-4-7-21(8-5-17)30(27,28)26-12-10-25(11-13-26)15-20-16-29-23(24-20)22-9-6-18(2)14-19(22)3/h4-9,14,16H,10-13,15H2,1-3H3/p+1