(4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazin-3-ium

Systemtic Name: (4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazin-3-ium Openeye Name: (4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazin-3-ium CAS Name: (4aR,8aS)-2-(methylthio)-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazin-3-ium IUPAC Name: (4aR,8aS)-2-methylsulfanyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazin-3-ium Traditional Name: (4aR,8aS)-2-(methylthio)-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazin-3-ium Formula: C9H16NOS+ MolecularWeight: 186.29444

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[NH+]CC2CCCCC2O1

Isomeric SMILES

CSC1=[NH+]C[C@H]2CCCC[C@@H]2O1

InChI

InChI=1S/C9H15NOS/c1-12-9-10-6-7-4-2-3-5-8(7)11-9/h7-8H,2-6H2,1H3/p+1/t7-,8+/m1/s1