2-[1-(3-phenoxypropyl)pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-(3-phenoxypropyl)pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-(3-phenoxypropyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-(3-phenoxypropyl)-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(3-phenoxypropyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(3-phenoxypropyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S/c18-22(19,20)14-9-15-7-11-17(12-8-15)10-4-13-21-16-5-2-1-3-6-16/h1-3,5-8,11-12H,4,9-10,13-14H2