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

Systemtic Name: 2-[[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(E)-3-(3-fluorophenyl)acryloyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H22FN4O2+ MolecularWeight: 393.434083

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O2/c23-17-5-3-4-16(14-17)8-9-21(28)27-12-10-26(11-13-27)15-20-24-19-7-2-1-6-18(19)22(29)25-20/h1-9,14H,10-13,15H2,(H,24,25,29)/p+1/b9-8+