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

Systemtic Name: 2-[4-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-(5-bromo-2-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(5-bromo-2-ethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C18H29BrN3O4S+ MolecularWeight: 463.40956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O4S/c1-4-21(5-2)18(23)14-20-9-11-22(12-10-20)27(24,25)17-13-15(19)7-8-16(17)26-6-3/h7-8,13H,4-6,9-12,14H2,1-3H3/p+1