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

Systemtic Name: 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide Openeye Name: 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide CAS Name: 4-(ethylthio)-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide IUPAC Name: 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide Traditional Name: 4-(ethylthio)-2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazin-1-ium iodide Formula: C16H18INOS MolecularWeight: 399.28969

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=[O+]C2=C1CCCC2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCSC1=NC(=[O+]C2=C1CCCC2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H18NOS.HI/c1-2-19-16-13-10-6-7-11-14(13)18-15(17-16)12-8-4-3-5-9-12;/h3-5,8-9H,2,6-7,10-11H2,1H3;1H/q+1;/p-1