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

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(3-methylbutyl)azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-isopentyl-ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-(3-methylbutyl)ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-(3-methylbutyl)azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-isoamyl-ammonium Formula: C20H30FN4+ MolecularWeight: 345.477403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN4/c1-14(2)8-10-22-17-5-4-11-25(12-9-17)20-23-15(3)18-13-16(21)6-7-19(18)24-20/h6-7,13-14,17,22H,4-5,8-12H2,1-3H3/p+1/t17-/m0/s1