4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl]methyldisulfanyl]methyl]-2-methyl-1-oxidanidyl-pyridin-1-ium-3-ol

Systemtic Name: 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl]methyldisulfanyl]methyl]-2-methyl-1-oxidanidyl-pyridin-1-ium-3-ol Openeye Name: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxido-pyridin-1-ium-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-1-oxido-pyridin-1-ium-3-ol CAS Name: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxido-3-pyridin-1-iumyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-1-oxido-3-pyridin-1-iumol IUPAC Name: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-1-oxidopyridin-1-ium-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-1-oxidopyridin-1-ium-3-ol Traditional Name: 5-[[(5-hydroxy-6-methyl-4-methylol-1-oxido-pyridin-1-ium-3-yl)methyldisulfanyl]methyl]-2-methyl-4-methylol-1-oxido-pyridin-1-ium-3-ol Formula: C16H20N2O6S2 MolecularWeight: 400.4698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1O)CO)CSSCC2=C[N+](=C(C(=C2CO)O)C)[O-])[O-]

Isomeric SMILES

CC1=[N+](C=C(C(=C1O)CO)CSSCC2=C[N+](=C(C(=C2CO)O)C)[O-])[O-]

InChI

InChI=1S/C16H20N2O6S2/c1-9-15(21)13(5-19)11(3-17(9)23)7-25-26-8-12-4-18(24)10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3