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

Systemtic Name: 2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]-N-phenylacetamide IUPAC Name: 2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-phenylacetamide Traditional Name: 2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-phenyl-acetamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c27-21(23-17-9-3-1-4-10-17)16-26-20(15-25-13-7-2-8-14-25)24-19-12-6-5-11-18(19)22(26)28/h1,3-6,9-12H,2,7-8,13-16H2,(H,23,27)/p+1