3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoate Openeye Name: 3-(4-benzylpiperidin-1-ium-1-yl)propanoate CAS Name: 3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanoate IUPAC Name: 3-(4-benzylpiperidin-1-ium-1-yl)propanoate Traditional Name: 3-(4-benzylpiperidin-1-ium-1-yl)propionate Formula: C15H21NO2 MolecularWeight: 247.33274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCC(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCC(=O)[O-]

InChI

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