(3S)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2,4-dimethylphenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethylbenzyl)piperidin-1-ium-3-carboxylate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-11-5-6-13(12(2)8-11)9-16-7-3-4-14(10-16)15(17)18/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,17,18)/t14-/m0/s1