2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethyl-azanium

Systemtic Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethyl-azanium Openeye Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3-methyl-isoxazol-5-yl]vinyl-dimethyl-ammonium CAS Name: 2-[4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-3-methyl-5-isoxazolyl]ethenyl-dimethylammonium IUPAC Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethylazanium Traditional Name: 2-[4-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-3-methyl-isoxazol-5-yl]vinyl-dimethyl-ammonium Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C=C[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C=C[NH+](C)C

InChI

InChI=1S/C20H28N4O3S/c1-15-6-7-16(2)18(14-15)23-10-12-24(13-11-23)28(25,26)20-17(3)21-27-19(20)8-9-22(4)5/h6-9,14H,10-13H2,1-5H3/p+1