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

Systemtic Name: 5-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole CAS Name: 5-[[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(2-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[(4-brosylpiperazin-1-ium-1-yl)methyl]-3-(2-methoxyphenyl)isoxazole Formula: C21H23BrN3O4S+ MolecularWeight: 493.39402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O4S/c1-28-21-5-3-2-4-19(21)20-14-17(29-23-20)15-24-10-12-25(13-11-24)30(26,27)18-8-6-16(22)7-9-18/h2-9,14H,10-13,15H2,1H3/p+1