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

Systemtic Name: 2-[(4-propanoylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-propanoylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(1-oxopropyl)phenoxy]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-propanoylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-propionylphenoxy)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H17N2O3+ MolecularWeight: 309.33918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3/c1-2-16(21)13-6-8-15(9-7-13)23-12-14-11-18(22)20-10-4-3-5-17(20)19-14/h3-11H,2,12H2,1H3/p+1