4-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 4-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 4-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C20H22N4O2+2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

InChI

InChI=1S/C20H20N4O2/c25-15-17-19(21-18-8-4-5-9-24(18)20(17)26)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2/p+2