2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-[(E)-3-phenylacryloyl]piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2/c27-21(10-9-18-6-2-1-3-7-18)25-14-12-24(13-15-25)17-19-16-22(28)26-11-5-4-8-20(26)23-19/h1-11,16H,12-15,17H2/p+1/b10-9+