2-[1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-2-yl]ethanesulfonate

Systemtic Name: 2-[1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-2-yl]ethanesulfonate Openeye Name: 2-[1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-2-yl]ethanesulfonate CAS Name: 2-[1-(2-hydroxy-3-phenoxypropyl)-2-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(2-hydroxy-3-phenoxypropyl)pyridin-1-ium-2-yl]ethanesulfonate Traditional Name: 2-[1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-2-yl]ethanesulfonate Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[N+]2=CC=CC=C2CCS(=O)(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OCC(C[N+]2=CC=CC=C2CCS(=O)(=O)[O-])O

InChI

InChI=1S/C16H19NO5S/c18-15(13-22-16-7-2-1-3-8-16)12-17-10-5-4-6-14(17)9-11-23(19,20)21/h1-8,10,15,18H,9,11-13H2