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

Systemtic Name: ethyl 1-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)C(C)C)O)C(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)C(C)C)O)C(C)C

InChI

InChI=1S/C21H33NO3/c1-6-25-21(24)17-7-9-22(10-8-17)13-16-11-18(14(2)3)20(23)19(12-16)15(4)5/h11-12,14-15,17,23H,6-10,13H2,1-5H3/p+1