(3S)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(p-tolylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-methylphenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-methylbenzyl)piperidin-1-ium-3-carboxylate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-15-8-2-3-13(10-15)14(16)17/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)/t13-/m0/s1