2-[4-[4-(phenylmethyl)piperidin-1-ium-1-yl]quinazolin-2-yl]phenolate

Systemtic Name: 2-[4-[4-(phenylmethyl)piperidin-1-ium-1-yl]quinazolin-2-yl]phenolate Openeye Name: 2-[4-(4-benzylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate CAS Name: 2-[4-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-quinazolinyl]phenolate IUPAC Name: 2-[4-(4-benzylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Traditional Name: 2-[4-(4-benzylpiperidin-1-ium-1-yl)quinazolin-2-yl]phenolate Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5[O-]

InChI

InChI=1S/C26H25N3O/c30-24-13-7-5-11-22(24)25-27-23-12-6-4-10-21(23)26(28-25)29-16-14-20(15-17-29)18-19-8-2-1-3-9-19/h1-13,20,30H,14-18H2