ethyl 1,6-dimethyl-4-oxidanylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate; methyl sulfate

Systemtic Name: ethyl 1,6-dimethyl-4-oxidanylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate; methyl sulfate Openeye Name: ethyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate; methyl sulfate CAS Name: 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylic acid ethyl ester; methyl sulfate IUPAC Name: ethyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate; methyl sulfate Traditional Name: 4-keto-1,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylic acid ethyl ester; methyl sulfate Formula: C14H22N2O7S MolecularWeight: 362.39868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=C2CCCC(N2C1=O)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=C2CCCC(N2C1=O)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H19N2O3.CH4O4S/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16;1-5-6(2,3)4/h8-9H,4-7H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1