2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-quinazolinolate IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Traditional Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Formula: C19H20N4O MolecularWeight: 320.3883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O/c24-19-16-8-4-5-9-17(16)20-18(21-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21,24)