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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

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