1,6-dimethyl-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide; methyl sulfate

Systemtic Name: 1,6-dimethyl-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide; methyl sulfate Openeye Name: 1,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide; methyl sulfate CAS Name: 1,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide; methyl sulfate IUPAC Name: 1,6-dimethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide; methyl sulfate Traditional Name: 4-keto-1,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide; methyl sulfate Formula: C11H17N3O6S MolecularWeight: 319.33418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=[N+](C=C(C(=O)N12)C(=O)N)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1CCC2=[N+](C=C(C(=O)N12)C(=O)N)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C10H13N3O2.CH4O4S/c1-6-3-4-8-12(2)5-7(9(11)14)10(15)13(6)8;1-5-6(2,3)4/h5-6H,3-4H2,1-2H3,(H-,11,14);1H3,(H,2,3,4)