(2S)-3-(4-hydroxyphenyl)-2-pyridin-1-ium-1-yl-propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-pyridin-1-ium-1-yl-propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-pyridin-1-ium-1-yl-propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-pyridin-1-iumyl)propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-pyridin-1-ium-1-ylpropanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-pyridin-1-ium-1-yl-propionate Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(CC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C14H13NO3/c16-12-6-4-11(5-7-12)10-13(14(17)18)15-8-2-1-3-9-15/h1-9,13H,10H2,(H-,16,17,18)/t13-/m0/s1