3-[1-(phenylmethyl)piperidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[1-(phenylmethyl)piperidin-1-ium-1-yl]propanoate Openeye Name: 3-(1-benzylpiperidin-1-ium-1-yl)propanoate CAS Name: 3-[1-(phenylmethyl)-1-piperidin-1-iumyl]propanoate IUPAC Name: 3-(1-benzylpiperidin-1-ium-1-yl)propanoate Traditional Name: 3-(1-benzylpiperidin-1-ium-1-yl)propionate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1CC[N+](CC1)(CCC(=O)[O-])CC2=CC=CC=C2

InChI

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