1-[(2,4-dimethyl-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2,4-dimethyl-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2-hydroxy-4,6-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-4,6-dimethylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2-hydroxy-4,6-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxy-4,6-dimethyl-benzyl)piperidin-1-ium-4-carboxylate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)O)C[NH+]2CCC(CC2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)O)C[NH+]2CCC(CC2)C(=O)[O-])C

InChI

InChI=1S/C15H21NO3/c1-10-7-11(2)13(14(17)8-10)9-16-5-3-12(4-6-16)15(18)19/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)