2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2/c25-19-16-8-4-5-9-17(16)21-18(22-19)14-23-10-12-24(13-11-23)20(26)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,22,25)/p+1