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

Systemtic Name: 6-chloranyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-chloro-1H-quinazolin-4-one Formula: C20H20ClN4O2+ MolecularWeight: 383.8514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4O2/c21-15-6-7-17-16(12-15)19(26)23-18(22-17)13-24-8-10-25(11-9-24)20(27)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23,26)/p+1