N-(1-adamantylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H24N2O2S MolecularWeight: 332.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H24N2O2S/c21-16(11-23-17-3-1-2-4-20(17)22)19-12-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-12H2,(H,19,21)