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

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1-oxidanylcyclohexyl)methyl]azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1-hydroxycyclohexyl)methyl]ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-[(1-hydroxycyclohexyl)methyl]ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-[(1-hydroxycyclohexyl)methyl]azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-[(1-hydroxycyclohexyl)methyl]ammonium Formula: C22H32FN4O+ MolecularWeight: 387.514083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CC4(CCCCC4)O

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CC4(CCCCC4)O

InChI

InChI=1S/C22H31FN4O/c1-16-19-14-17(23)7-8-20(19)26-21(25-16)27-12-5-6-18(9-13-27)24-15-22(28)10-3-2-4-11-22/h7-8,14,18,24,28H,2-6,9-13,15H2,1H3/p+1/t18-/m0/s1