2-[[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-6-(1-oxidanylidenepiperidin-1-ium-2-yl)sulfanyl-1,3,5-triazinan-2-yl]sulfanyl]piperidin-1-ium 1-oxide

Systemtic Name: 2-[[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-6-(1-oxidanylidenepiperidin-1-ium-2-yl)sulfanyl-1,3,5-triazinan-2-yl]sulfanyl]piperidin-1-ium 1-oxide Openeye Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-6-(1-oxopiperidin-1-ium-2-yl)sulfanyl-1,3,5-triazinan-2-yl]sulfanyl]piperidin-1-ium 1-oxide CAS Name: 2-[[4-[(1-oxido-2-pyridin-1-iumyl)thio]-6-[(1-oxo-2-piperidin-1-iumyl)thio]-1,3,5-triazinan-2-yl]thio]piperidin-1-ium 1-oxide IUPAC Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-6-(1-oxopiperidin-1-ium-2-yl)sulfanyl-1,3,5-triazinan-2-yl]sulfanyl]piperidin-1-ium 1-oxide Traditional Name: 2-[[4-[(1-ketopiperidin-1-ium-2-yl)thio]-6-[(1-oxidopyridin-1-ium-2-yl)thio]-1,3,5-triazinan-2-yl]thio]piperidin-1-ium 1-oxide Formula: C18H28N6O3S3+2 MolecularWeight: 472.64832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=O)C(C1)SC2NC(NC(N2)SC3=CC=CC=[N+]3[O-])SC4CCCC[N+]4=O

Isomeric SMILES

C1CC[N+](=O)C(C1)SC2NC(NC(N2)SC3=CC=CC=[N+]3[O-])SC4CCCC[N+]4=O

InChI

InChI=1S/C18H28N6O3S3/c25-22-10-4-1-7-13(22)28-16-19-17(29-14-8-2-5-11-23(14)26)21-18(20-16)30-15-9-3-6-12-24(15)27/h1,4,7,10,14-21H,2-3,5-6,8-9,11-12H2/q+2