1-[3-(2-methylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylate

Systemtic Name: 1-[3-(2-methylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylate Openeye Name: 1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-pyridin-1-iumcarboxylate IUPAC Name: 1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-3-carboxylate Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[N+]2=CC=CC(=C2)C(=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1OCC(C[N+]2=CC=CC(=C2)C(=O)[O-])O

InChI

InChI=1S/C16H17NO4/c1-12-5-2-3-7-15(12)21-11-14(18)10-17-8-4-6-13(9-17)16(19)20/h2-9,14,18H,10-11H2,1H3