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

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-(2-methoxyethyl)ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-methoxyethyl)ammonium Formula: C18H26FN4O+ MolecularWeight: 333.423643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN4O/c1-13-16-12-14(19)5-6-17(16)22-18(21-13)23-9-3-4-15(7-10-23)20-8-11-24-2/h5-6,12,15,20H,3-4,7-11H2,1-2H3/p+1/t15-/m0/s1