(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(3-phenylpropyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxylate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c17-15(18)14-9-5-11-16(12-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,17,18)/t14-/m0/s1