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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C13H20BrN2O3S+ MolecularWeight: 364.2785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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