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

Systemtic Name: 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-1,2-oxazole Openeye Name: 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-isoxazole CAS Name: 5-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methylisoxazole IUPAC Name: 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-1,2-oxazole Traditional Name: 5-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-isoxazole Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=NO3)C

InChI

InChI=1S/C17H23N3O3S/c1-13-4-5-14(2)17(10-13)24(21,22)20-8-6-19(7-9-20)12-16-11-15(3)18-23-16/h4-5,10-11H,6-9,12H2,1-3H3/p+1