2-[4-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-bromo-2,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-bromo-2,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C14H22BrN2O5S+ MolecularWeight: 410.30388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CC[NH+](CC2)CCO

Isomeric SMILES

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C14H21BrN2O5S/c1-21-12-10-14(13(22-2)9-11(12)15)23(19,20)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3/p+1