1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-4-carboxylic acid Openeye Name: 1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-4-carboxylic acid CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-4-pyridin-1-iumcarboxylic acid IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)pyridin-1-ium-4-carboxylic acid Traditional Name: 1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-4-carboxylic acid Formula: C15H16NO4+ MolecularWeight: 274.29184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[N+]2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(C[N+]2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C15H15NO4/c17-13(11-20-14-4-2-1-3-5-14)10-16-8-6-12(7-9-16)15(18)19/h1-9,13,17H,10-11H2/p+1