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

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)oxazole CAS Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(4-fluorophenyl)oxazole IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)oxazole Formula: C21H22BrFN3O3S+ MolecularWeight: 495.385083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)F)Br

InChI

InChI=1S/C21H21BrFN3O3S/c1-15-12-18(6-7-19(15)22)30(27,28)26-10-8-25(9-11-26)14-21-24-13-20(29-21)16-2-4-17(23)5-3-16/h2-7,12-13H,8-11,14H2,1H3/p+1