(2,2-dimethyl-3-oxidanyl-propyl)-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl)-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-(3-hydroxy-2,2-dimethyl-propyl)ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-(3-hydroxy-2,2-dimethylpropyl)ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-(3-hydroxy-2,2-dimethylpropyl)azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-(3-hydroxy-2,2-dimethyl-propyl)ammonium Formula: C20H30FN4O+ MolecularWeight: 361.476803

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)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN4O/c1-14-17-11-15(21)6-7-18(17)24-19(23-14)25-9-4-5-16(8-10-25)22-12-20(2,3)13-26/h6-7,11,16,22,26H,4-5,8-10,12-13H2,1-3H3/p+1/t16-/m0/s1