N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CNC3=CC=CC=[N+]3C2=O

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CNC3=CC=CC=[N+]3C2=O

InChI

InChI=1S/C21H24N4O2/c1-3-24(4-2)15-17-10-6-5-9-16(17)13-23-20(26)18-14-22-19-11-7-8-12-25(19)21(18)27/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,26)/p+1