methyl 4-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H21NO2/c1-12-5-3-4-10-16(12)11-13-6-8-14(9-7-13)15(17)18-2/h6-9,12H,3-5,10-11H2,1-2H3/p+1/t12-/m1/s1