[(3R,4R)-1-(1,4-dithiepan-6-yl)-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3R,4R)-1-(1,4-dithiepan-6-yl)-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-1-(1,4-dithiepan-6-yl)-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-1-(1,4-dithiepan-6-yl)-3-hydroxy-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-1-(1,4-dithiepan-6-yl)-3-hydroxypiperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-1-(1,4-dithiepan-6-yl)-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C18H31N3OS2+2 MolecularWeight: 369.58824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)C3CSCCSC3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)C3CSCCSC3

InChI

InChI=1S/C18H29N3OS2/c1-20(8-5-15-4-2-3-7-19-15)17-6-9-21(12-18(17)22)16-13-23-10-11-24-14-16/h2-4,7,16-18,22H,5-6,8-14H2,1H3/p+2/t17-,18-/m1/s1