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

Systemtic Name: 2-[1-[3-(4-azanylphenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Openeye Name: 2-[1-[3-(4-aminophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide CAS Name: 2-[1-[3-(4-aminophenoxy)propyl]-4-pyridin-1-iumyl]ethanesulfonate hydrobromide IUPAC Name: 2-[1-[3-(4-aminophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Traditional Name: 2-[1-[3-(4-aminophenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonate hydrobromide Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S.BrH/c17-15-2-4-16(5-3-15)22-12-1-9-18-10-6-14(7-11-18)8-13-23(19,20)21;/h2-7,10-11H,1,8-9,12-13,17H2;1H