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

Systemtic Name: 2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: N-(2-isopropylphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-o-cumenyl-acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C25H30N4O2/c1-18(2)19-10-4-6-12-21(19)27-24(30)17-29-23(16-28-14-8-3-9-15-28)26-22-13-7-5-11-20(22)25(29)31/h4-7,10-13,18H,3,8-9,14-17H2,1-2H3,(H,27,30)/p+1