1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-salicylpiperidin-1-ium-4-carboxylate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC=CC=C2O

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC=CC=C2O

InChI

InChI=1S/C13H17NO3/c15-12-4-2-1-3-11(12)9-14-7-5-10(6-8-14)13(16)17/h1-4,10,15H,5-9H2,(H,16,17)