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

Systemtic Name: methyl sulfate; propyl 1,6-dimethyl-4-oxidanylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate Openeye Name: methyl sulfate; propyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate CAS Name: 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylic acid propyl ester; methyl sulfate IUPAC Name: methyl sulfate; propyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate Traditional Name: 4-keto-1,6-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylic acid propyl ester; methyl sulfate Formula: C15H24N2O7S MolecularWeight: 376.42526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N2O3.CH4O4S/c1-4-8-19-14(18)11-9-15(3)12-7-5-6-10(2)16(12)13(11)17;1-5-6(2,3)4/h9-10H,4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1