1-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[3-(2-chlorophenoxy)-2-hydroxy-propyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[3-(2-chlorophenoxy)-2-hydroxypropyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[3-(2-chlorophenoxy)-2-hydroxypropyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[3-(2-chlorophenoxy)-2-hydroxy-propyl]pyridin-1-ium-3-carboxylic acid Formula: C15H15ClNO4+ MolecularWeight: 308.7369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO4/c16-13-5-1-2-6-14(13)21-10-12(18)9-17-7-3-4-11(8-17)15(19)20/h1-8,12,18H,9-10H2/p+1