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

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-isopropylbenzyl)piperidin-1-ium-4-carboxylate Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-12(2)14-5-3-13(4-6-14)11-17-9-7-15(8-10-17)16(18)19/h3-6,12,15H,7-11H2,1-2H3,(H,18,19)