2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(6-fluoro-4-oxo-quinazolin-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(6-fluoro-4-oxo-3-quinazolinyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(6-fluoro-4-keto-quinazolin-3-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C21H22FN4O2+ MolecularWeight: 381.423383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2/c22-16-5-8-19-18(11-16)21(28)26(14-23-19)13-20(27)24-17-6-3-15(4-7-17)12-25-9-1-2-10-25/h3-8,11,14H,1-2,9-10,12-13H2,(H,24,27)/p+1