methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]ethanoate

Systemtic Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]ethanoate Openeye Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetate CAS Name: 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetate Traditional Name: 2-[1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydropyridin-1-ium-6-yl]acetic acid methyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2=C(CCCC2)CC(=O)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[N+]2=C(CCCC2)CC(=O)OC

InChI

InChI=1S/C16H22NO2/c1-13(14-8-4-3-5-9-14)17-11-7-6-10-15(17)12-16(18)19-2/h3-5,8-9,13H,6-7,10-12H2,1-2H3/q+1/t13-/m0/s1