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

Systemtic Name: 1-methyl-4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide Openeye Name: 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide CAS Name: 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide IUPAC Name: 1-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-1-ium-3-carboxamide Traditional Name: 4-keto-1-methyl-7,8,9,10-tetrahydro-6H-pyrimid[1,2-a]azepin-1-ium-3-carboxamide Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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