2-[4-(4-bromanyl-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-bromanyl-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-bromo-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-bromo-3-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-bromo-3-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-bromo-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C13H20BrN2O4S+ MolecularWeight: 380.2779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCO)Br

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCO)Br

InChI

InChI=1S/C13H19BrN2O4S/c1-20-13-10-11(2-3-12(13)14)21(18,19)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3/p+1