1-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(4-hydroxy-3,5-diisopropyl-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-hydroxy-3,5-diisopropyl-benzyl)piperidin-1-ium-4-carboxylate Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C19H29NO3/c1-12(2)16-9-14(10-17(13(3)4)18(16)21)11-20-7-5-15(6-8-20)19(22)23/h9-10,12-13,15,21H,5-8,11H2,1-4H3,(H,22,23)