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

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-phenethyl-azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-phenethyl-ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-phenethylammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-phenethylazanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-phenethyl-ammonium Formula: C23H28FN4+ MolecularWeight: 379.493623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C23H27FN4/c1-17-21-16-19(24)9-10-22(21)27-23(26-17)28-14-5-8-20(12-15-28)25-13-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,16,20,25H,5,8,11-15H2,1H3/p+1/t20-/m0/s1