2,3-dihydro-1H-inden-2-yl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[(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]-indan-2-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-indan-2-yl-ammonium Formula: C24H28FN4+ MolecularWeight: 391.504323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]C4CC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]C4CC5=CC=CC=C5C4

InChI

InChI=1S/C24H27FN4/c1-16-22-15-19(25)8-9-23(22)28-24(26-16)29-11-4-7-20(10-12-29)27-21-13-17-5-2-3-6-18(17)14-21/h2-3,5-6,8-9,15,20-21,27H,4,7,10-14H2,1H3/p+1/t20-/m0/s1