methyl 4,4-dimethyl-2,3-dihydro-1,4-benzoxazin-4-ium-6-carboxylate iodide

Systemtic Name: methyl 4,4-dimethyl-2,3-dihydro-1,4-benzoxazin-4-ium-6-carboxylate iodide Openeye Name: methyl 4,4-dimethyl-2,3-dihydro-1,4-benzoxazin-4-ium-6-carboxylate iodide CAS Name: 4,4-dimethyl-2,3-dihydro-1,4-benzoxazin-4-ium-6-carboxylic acid methyl ester iodide IUPAC Name: methyl 4,4-dimethyl-2,3-dihydro-1,4-benzoxazin-4-ium-6-carboxylate iodide Traditional Name: 4,4-dimethyl-2,3-dihydro-1,4-benzoxazin-4-ium-6-carboxylic acid methyl ester iodide Formula: C12H16INO3 MolecularWeight: 349.16481

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOC2=C1C=C(C=C2)C(=O)OC)C.[I-]

Isomeric SMILES

C[N+]1(CCOC2=C1C=C(C=C2)C(=O)OC)C.[I-]

InChI

InChI=1S/C12H16NO3.HI/c1-13(2)6-7-16-11-5-4-9(8-10(11)13)12(14)15-3;/h4-5,8H,6-7H2,1-3H3;1H/q+1;/p-1