ethyl 2-[[1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(1-benzyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]acetate CAS Name: 2-[[1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]acetate Traditional Name: 2-[(1-benzyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)thio]acetic acid ethyl ester Formula: C16H22NO2S+ MolecularWeight: 292.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[N+](CCCC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=[N+](CCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H22NO2S/c1-2-19-16(18)13-20-15-10-6-7-11-17(15)12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3/q+1