[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-methylprop-2-enyl)azanium

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-methylprop-2-enyl)azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-methylallyl)ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-(2-methylprop-2-enyl)ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-(2-methylprop-2-enyl)azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-methylallyl)ammonium Formula: C19H26FN4+ MolecularWeight: 329.434943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CC(=C)C

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CC(=C)C

InChI

InChI=1S/C19H25FN4/c1-13(2)12-21-16-5-4-9-24(10-8-16)19-22-14(3)17-11-15(20)6-7-18(17)23-19/h6-7,11,16,21H,1,4-5,8-10,12H2,2-3H3/p+1/t16-/m0/s1