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

Systemtic Name: methyl 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-(4-benzylpiperidin-1-ium-1-yl)acetate CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-benzylpiperidin-1-ium-1-yl)acetate Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)acetic acid methyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-18-15(17)12-16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/p+1