(Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenyl-prop-2-ene-1-sulfonate

Systemtic Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenyl-prop-2-ene-1-sulfonate Openeye Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenyl-prop-2-ene-1-sulfonate CAS Name: (Z)-2-[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]-3-phenyl-2-propene-1-sulfonate IUPAC Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate Traditional Name: (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenyl-prop-2-ene-1-sulfonate Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(CS(=O)(=O)[O-])C2=CC=[N+](C=C2)CCO

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\CS(=O)(=O)[O-])/C2=CC=[N+](C=C2)CCO

InChI

InChI=1S/C16H17NO4S/c18-11-10-17-8-6-15(7-9-17)16(13-22(19,20)21)12-14-4-2-1-3-5-14/h1-9,12,18H,10-11,13H2/b16-12+