2-[1-[3-(4-azanylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide

Systemtic Name: 2-[1-[3-(4-azanylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Openeye Name: 2-[1-[3-(4-aminophenoxy)-2-hydroxy-propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide CAS Name: 2-[1-[3-(4-aminophenoxy)-2-hydroxypropyl]-4-pyridin-1-iumyl]ethanesulfonate hydrobromide IUPAC Name: 2-[1-[3-(4-aminophenoxy)-2-hydroxypropyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Traditional Name: 2-[1-[3-(4-aminophenoxy)-2-hydroxy-propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Formula: C16H21BrN2O5S MolecularWeight: 433.31734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S.BrH/c17-14-1-3-16(4-2-14)23-12-15(19)11-18-8-5-13(6-9-18)7-10-24(20,21)22;/h1-6,8-9,15,19H,7,10-12,17H2;1H