2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(E)-3-phenylacryloyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2/c27-21(11-10-17-6-2-1-3-7-17)26-14-12-25(13-15-26)16-20-23-19-9-5-4-8-18(19)22(28)24-20/h1-11H,12-16H2,(H,23,24,28)/p+1/b11-10+