4-methylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide

Systemtic Name: 4-methylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide Openeye Name: 4-methylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide CAS Name: 4-(methylthio)-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide IUPAC Name: 4-methylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide Traditional Name: 4-(methylthio)-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide Formula: C15H16INOS MolecularWeight: 385.26311

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=[O+]C2=C1CCCC2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CSC1=NC(=[O+]C2=C1CCCC2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C15H16NOS.HI/c1-18-15-12-9-5-6-10-13(12)17-14(16-15)11-7-3-2-4-8-11;/h2-4,7-8H,5-6,9-10H2,1H3;1H/q+1;/p-1