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

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole CAS Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyloxazole IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole Formula: C21H23BrN3O3S+ MolecularWeight: 477.39462

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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=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3S/c1-16-13-18(7-8-19(16)22)29(26,27)25-11-9-24(10-12-25)15-21-23-14-20(28-21)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/p+1