2-[1-[2-(4-azanylphenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide

Systemtic Name: 2-[1-[2-(4-azanylphenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Openeye Name: 2-[1-[2-(4-aminophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide CAS Name: 2-[1-[2-(4-aminophenoxy)ethyl]-4-pyridin-1-iumyl]ethanesulfonate hydrobromide IUPAC Name: 2-[1-[2-(4-aminophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Traditional Name: 2-[1-[2-(4-aminophenoxy)ethyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)OCC[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-].Br

Isomeric SMILES

C1=CC(=CC=C1N)OCC[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-].Br

InChI

InChI=1S/C15H18N2O4S.BrH/c16-14-1-3-15(4-2-14)21-11-10-17-8-5-13(6-9-17)7-12-22(18,19)20;/h1-6,8-9H,7,10-12,16H2;1H