1-(4-bromanyl-3-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-bromo-3-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-bromo-3-methoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H18BrN2O3S+ MolecularWeight: 350.25192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)OC

InChI

InChI=1S/C12H17BrN2O3S/c1-14-5-7-15(8-6-14)19(16,17)10-3-4-11(13)12(9-10)18-2/h3-4,9H,5-8H2,1-2H3/p+1