2-methoxy-6-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]phenolate

Systemtic Name: 2-methoxy-6-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]phenolate Openeye Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxy-phenolate CAS Name: 2-methoxy-6-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinazolinyl]phenolate IUPAC Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxyphenolate Traditional Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxy-phenolate Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[O-])C2=NC3=CC=CC=C3C(=N2)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1[O-])C2=NC3=CC=CC=C3C(=N2)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c1-32-23-13-7-11-21(24(23)31)25-27-22-12-6-5-10-20(22)26(28-25)30-16-14-29(15-17-30)18-19-8-3-2-4-9-19/h2-13,31H,14-18H2,1H3