2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(4-phenylphenyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(4-phenylphenyl)ethanamide Openeye Name: 2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(4-phenylphenyl)acetamide CAS Name: 2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]-N-(4-phenylphenyl)acetamide IUPAC Name: 2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(4-phenylphenyl)acetamide Traditional Name: 2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(4-phenylphenyl)acetamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-27(29-23-15-13-22(14-16-23)21-9-3-1-4-10-21)20-32-26(19-31-17-7-2-8-18-31)30-25-12-6-5-11-24(25)28(32)34/h1,3-6,9-16H,2,7-8,17-20H2,(H,29,33)/p+1