3-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,3-oxazole-2-thione

Systemtic Name: 3-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,3-oxazole-2-thione Openeye Name: 3-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-oxazole-2-thione CAS Name: 3-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-oxazolethione IUPAC Name: 3-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-1,3-oxazole-2-thione Traditional Name: 3-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4,5-dimethyl-4-oxazoline-2-thione Formula: C16H20BrClN3O3S2+ MolecularWeight: 481.8353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl)C

Isomeric SMILES

CC1=C(OC(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl)C

InChI

InChI=1S/C16H19BrClN3O3S2/c1-11-12(2)24-16(25)21(11)10-19-5-7-20(8-6-19)26(22,23)15-4-3-13(17)9-14(15)18/h3-4,9H,5-8,10H2,1-2H3/p+1