1-methyl-4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide; methyl sulfate

Systemtic Name: 1-methyl-4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide; methyl sulfate Openeye Name: 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide; methyl sulfate CAS Name: 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide; methyl sulfate IUPAC Name: 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide; methyl sulfate Traditional Name: 4-keto-1-methyl-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-1-ium-3-carboxamide; methyl sulfate Formula: C12H19N3O6S MolecularWeight: 333.36076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2CCCCCN2C(=O)C(=C1)C(=O)N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2CCCCCN2C(=O)C(=C1)C(=O)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H15N3O2.CH4O4S/c1-13-7-8(10(12)15)11(16)14-6-4-2-3-5-9(13)14;1-5-6(2,3)4/h7H,2-6H2,1H3,(H-,12,15);1H3,(H,2,3,4)