(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[2-(1-cyclohexenyl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H22N2O2S MolecularWeight: 306.42308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H22N2O2S/c1-13(21-15-9-5-6-12-18(15)20)16(19)17-11-10-14-7-3-2-4-8-14/h5-7,9,12-13H,2-4,8,10-11H2,1H3,(H,17,19)/t13-/m1/s1