(3S)-1-phenacylpiperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-phenacylpiperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-phenacylpiperidin-1-ium-3-carboxylate CAS Name: (3S)-1-phenacyl-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-phenacylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-phenacylpiperidin-1-ium-3-carboxylate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H17NO3/c16-13(11-5-2-1-3-6-11)10-15-8-4-7-12(9-15)14(17)18/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1