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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C

InChI

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