7-chloranyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-7-chloro-quinazolin-4-olate Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4O2/c21-15-6-7-16-17(12-15)22-18(23-19(16)26)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)