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

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(oxan-4-yl)azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-tetrahydropyran-4-yl-ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-(4-oxanyl)ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-(oxan-4-yl)azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-tetrahydropyran-4-yl-ammonium Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]C4CCOCC4

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]C4CCOCC4

InChI

InChI=1S/C20H27FN4O/c1-14-18-13-15(21)4-5-19(18)24-20(22-14)25-9-2-3-16(6-10-25)23-17-7-11-26-12-8-17/h4-5,13,16-17,23H,2-3,6-12H2,1H3/p+1/t16-/m0/s1