N-(1-adamantyl)-N-(furan-2-ylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-(furan-2-ylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-N-(2-furylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-N-(2-furanylmethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-(furan-2-ylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-N-(2-furfuryl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)CSC5=CC=CC=[N+]5[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)CSC5=CC=CC=[N+]5[O-]

InChI

InChI=1S/C22H26N2O3S/c25-20(15-28-21-5-1-2-6-24(21)26)23(14-19-4-3-7-27-19)22-11-16-8-17(12-22)10-18(9-16)13-22/h1-7,16-18H,8-15H2