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

Systemtic Name: 1-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C14H22BrN2O3S+ MolecularWeight: 378.30508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O3S/c1-3-16-7-9-17(10-8-16)21(18,19)14-11-12(15)5-6-13(14)20-4-2/h5-6,11H,3-4,7-10H2,1-2H3/p+1