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

Systemtic Name: 1-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(4-bromo-2,5-dimethoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(4-bromo-2,5-dimethoxy-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C14H22BrN2O4S+ MolecularWeight: 394.30448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O4S/c1-4-16-5-7-17(8-6-16)22(18,19)14-10-12(20-2)11(15)9-13(14)21-3/h9-10H,4-8H2,1-3H3/p+1