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

Systemtic Name: 3,5-dimethyl-4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[2-(3-methylphenoxy)ethyl]-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C18H25N3O4S/c1-14-5-4-6-17(13-14)24-12-11-20-7-9-21(10-8-20)26(22,23)18-15(2)19-25-16(18)3/h4-6,13H,7-12H2,1-3H3/p+1