ethyl 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-(4-benzylpiperidin-1-ium-1-yl)acetate CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperidin-1-ium-1-yl)acetate Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)acetic acid ethyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-2-19-16(18)13-17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/p+1