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

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4)C

InChI

InChI=1S/C20H23N3O3S2/c1-15-5-6-18(12-16(15)2)28(24,25)23-9-7-22(8-10-23)14-17-13-19(26-21-17)20-4-3-11-27-20/h3-6,11-13H,7-10,14H2,1-2H3/p+1