methyl (7S)-5-oxidanylidene-2-prop-2-enyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate iodide

Systemtic Name: methyl (7S)-5-oxidanylidene-2-prop-2-enyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate iodide Openeye Name: methyl (7S)-2-allyl-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate iodide CAS Name: (7S)-5-oxo-2-prop-2-enyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylic acid methyl ester iodide IUPAC Name: methyl (7S)-5-oxo-2-prop-2-enyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylate iodide Traditional Name: (7S)-2-allyl-5-keto-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-7-carboxylic acid methyl ester iodide Formula: C11H14IN3O3 MolecularWeight: 363.15163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C[N+](=CN2C(=O)N1)CC=C.[I-]

Isomeric SMILES

COC(=O)[C@@H]1CC2=C[N+](=CN2C(=O)N1)CC=C.[I-]

InChI

InChI=1S/C11H13N3O3.HI/c1-3-4-13-6-8-5-9(10(15)17-2)12-11(16)14(8)7-13;/h3,6-7,9H,1,4-5H2,2H3;1H/t9-;/m0./s1