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

Systemtic Name: 4-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole Openeye Name: 4-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-oxazole CAS Name: 4-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-2-phenyloxazole IUPAC Name: 4-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole Traditional Name: 4-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-oxazole Formula: C22H25BrN3O3S+ MolecularWeight: 491.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=CC=CC=C4)C)Br

InChI

InChI=1S/C22H24BrN3O3S/c1-16-14-19(8-9-20(16)23)30(27,28)26-12-10-25(11-13-26)15-21-17(2)29-22(24-21)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1