2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C16H25BrN3O5S+ MolecularWeight: 451.3558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3O5S/c1-4-18-16(21)11-19-5-7-20(8-6-19)26(22,23)15-10-14(25-3)13(24-2)9-12(15)17/h9-10H,4-8,11H2,1-3H3,(H,18,21)/p+1