1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(4-tert-butylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-tert-butylbenzyl)piperidin-1-ium-4-carboxylate Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/c1-17(2,3)15-6-4-13(5-7-15)12-18-10-8-14(9-11-18)16(19)20/h4-7,14H,8-12H2,1-3H3,(H,19,20)