(3S)-3-phenyl-3-piperidin-1-ium-1-yl-propanoate

Systemtic Name: (3S)-3-phenyl-3-piperidin-1-ium-1-yl-propanoate Openeye Name: (3S)-3-phenyl-3-piperidin-1-ium-1-yl-propanoate CAS Name: (3S)-3-phenyl-3-(1-piperidin-1-iumyl)propanoate IUPAC Name: (3S)-3-phenyl-3-piperidin-1-ium-1-ylpropanoate Traditional Name: (3S)-3-phenyl-3-piperidin-1-ium-1-yl-propionate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c16-14(17)11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17)/t13-/m0/s1