2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H14ClN2O3+ MolecularWeight: 329.75766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)OCC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)OCC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H13ClN2O3/c1-11(21)14-8-12(18)5-6-15(14)23-10-13-9-17(22)20-7-3-2-4-16(20)19-13/h2-9H,10H2,1H3/p+1