1-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20BrN2O3S+ MolecularWeight: 364.2785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H19BrN2O3S/c1-3-19-12-5-4-11(14)10-13(12)20(17,18)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3/p+1