2-tert-butyl-4-tert-butylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium

Systemtic Name: 2-tert-butyl-4-tert-butylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Openeye Name: 2-tert-butyl-4-tert-butylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium CAS Name: 2-tert-butyl-4-(tert-butylthio)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium IUPAC Name: 2-tert-butyl-4-tert-butylsulfanyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Traditional Name: 2-tert-butyl-4-(tert-butylthio)-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium Formula: C16H26NOS+ MolecularWeight: 280.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[O+]C2=C(CCCC2)C(=N1)SC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=[O+]C2=C(CCCC2)C(=N1)SC(C)(C)C

InChI

InChI=1S/C16H26NOS/c1-15(2,3)14-17-13(19-16(4,5)6)11-9-7-8-10-12(11)18-14/h7-10H2,1-6H3/q+1