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

Systemtic Name: 3,5-dimethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]sulfonyl-isoxazole Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

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