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

Systemtic Name: 2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(2-phenoxyphenyl)ethanamide Openeye Name: 2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(2-phenoxyphenyl)acetamide CAS Name: 2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]-N-(2-phenoxyphenyl)acetamide IUPAC Name: 2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(2-phenoxyphenyl)acetamide Traditional Name: 2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(2-phenoxyphenyl)acetamide Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-27(30-24-15-7-8-16-25(24)35-21-11-3-1-4-12-21)20-32-26(19-31-17-9-2-10-18-31)29-23-14-6-5-13-22(23)28(32)34/h1,3-8,11-16H,2,9-10,17-20H2,(H,30,33)/p+1