[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(3-methylsulfanylpropyl)azanium

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(3-methylsulfanylpropyl)azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-(3-methylsulfanylpropyl)ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-[3-(methylthio)propyl]ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-(3-methylsulfanylpropyl)azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-[3-(methylthio)propyl]ammonium Formula: C19H28FN4S+ MolecularWeight: 363.515823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27FN4S/c1-14-17-13-15(20)6-7-18(17)23-19(22-14)24-10-3-5-16(8-11-24)21-9-4-12-25-2/h6-7,13,16,21H,3-5,8-12H2,1-2H3/p+1/t16-/m0/s1