(2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-yl-ethanoate

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-yl-ethanoate Openeye Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-yl-acetate CAS Name: (2S)-2-(4-dimethylaminophenyl)-2-(1-piperidin-1-iumyl)acetate IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-ylacetate Traditional Name: (2S)-2-(4-dimethylaminophenyl)-2-piperidin-1-ium-1-yl-acetate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C15H22N2O2/c1-16(2)13-8-6-12(7-9-13)14(15(18)19)17-10-4-3-5-11-17/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,19)/t14-/m0/s1