4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C17H23ClN3O4S+ MolecularWeight: 400.90022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN3O4S/c1-13-17(14(2)25-19-13)26(22,23)21-9-7-20(8-10-21)11-12-24-16-5-3-15(18)4-6-16/h3-6H,7-12H2,1-2H3/p+1