2-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]phenolate

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]phenolate Openeye Name: 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)quinazolin-2-yl]phenolate CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-quinazolinyl]phenolate IUPAC Name: 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)quinazolin-2-yl]phenolate Traditional Name: 2-[4-(4-benzhydrylpiperazin-4-ium-1-yl)quinazolin-2-yl]phenolate Formula: C31H28N4O MolecularWeight: 472.58022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6[O-]

InChI

InChI=1S/C31H28N4O/c36-28-18-10-8-16-26(28)30-32-27-17-9-7-15-25(27)31(33-30)35-21-19-34(20-22-35)29(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-18,29,36H,19-22H2