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

Systemtic Name: dicyclopropylmethyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: dicyclopropylmethyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: dicyclopropylmethyl-[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: dicyclopropylmethyl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: dicyclopropylmethyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C22H30FN4+ MolecularWeight: 369.498803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]C(C4CC4)C5CC5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]C(C4CC4)C5CC5

InChI

InChI=1S/C22H29FN4/c1-14-19-13-17(23)8-9-20(19)26-22(24-14)27-11-2-3-18(10-12-27)25-21(15-4-5-15)16-6-7-16/h8-9,13,15-16,18,21,25H,2-7,10-12H2,1H3/p+1/t18-/m0/s1