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

Systemtic Name: ethyl 1-methyl-4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxylate Openeye Name: ethyl 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxylate CAS Name: 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxylate Traditional Name: 4-keto-1-methyl-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-1-ium-3-carboxylic acid ethyl ester Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=C2CCCCCN2C1=O)C

Isomeric SMILES

CCOC(=O)C1=C[N+](=C2CCCCCN2C1=O)C

InChI

InChI=1S/C13H19N2O3/c1-3-18-13(17)10-9-14(2)11-7-5-4-6-8-15(11)12(10)16/h9H,3-8H2,1-2H3/q+1