2-(2-methylpropoxy)-3,1-benzoxazin-1-ium-4-one chloride

Systemtic Name: 2-(2-methylpropoxy)-3,1-benzoxazin-1-ium-4-one chloride Openeye Name: 2-isobutoxy-3,1-benzoxazin-1-ium-4-one chloride CAS Name: 2-(2-methylpropoxy)-3,1-benzoxazin-1-ium-4-one chloride IUPAC Name: 2-(2-methylpropoxy)-3,1-benzoxazin-1-ium-4-one chloride Traditional Name: 2-isobutoxy-3,1-benzoxazin-1-ium-4-one chloride Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=[NH+]C2=CC=CC=C2C(=O)O1.[Cl-]

Isomeric SMILES

CC(C)COC1=[NH+]C2=CC=CC=C2C(=O)O1.[Cl-]

InChI

InChI=1S/C12H13NO3.ClH/c1-8(2)7-15-12-13-10-6-4-3-5-9(10)11(14)16-12;/h3-6,8H,7H2,1-2H3;1H