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

Systemtic Name: 3-[[4-(2-bromanyl-4-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(2-bromo-4-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(2-bromo-4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(2-bromo-4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(2-bromo-4-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C16H21BrN3O3S+ MolecularWeight: 415.32524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O3S/c1-12-3-4-16(15(17)9-12)24(21,22)20-7-5-19(6-8-20)11-14-10-13(2)23-18-14/h3-4,9-10H,5-8,11H2,1-2H3/p+1