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

Systemtic Name: butyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: butyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: butyl-[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: butyl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: butyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C19H28FN4+ MolecularWeight: 331.450823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1CCCN(CC1)C2=NC3=C(C=C(C=C3)F)C(=N2)C

Isomeric SMILES

CCCC[NH2+][C@H]1CCCN(CC1)C2=NC3=C(C=C(C=C3)F)C(=N2)C

InChI

InChI=1S/C19H27FN4/c1-3-4-10-21-16-6-5-11-24(12-9-16)19-22-14(2)17-13-15(20)7-8-18(17)23-19/h7-8,13,16,21H,3-6,9-12H2,1-2H3/p+1/t16-/m0/s1