1-[3-(4-acetamidophenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[3-(4-acetamidophenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[3-(4-acetamidophenoxy)-2-hydroxy-propyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[3-(4-acetamidophenoxy)-2-hydroxypropyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[3-(4-acetamidophenoxy)-2-hydroxypropyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[3-(4-acetamidophenoxy)-2-hydroxy-propyl]pyridin-1-ium-3-carboxylic acid Formula: C17H19N2O5+ MolecularWeight: 331.34316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[N+]2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC(C[N+]2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C17H18N2O5/c1-12(20)18-14-4-6-16(7-5-14)24-11-15(21)10-19-8-2-3-13(9-19)17(22)23/h2-9,15,21H,10-11H2,1H3,(H-,18,20,22,23)/p+1