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

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]-[2-(2-thienyl)ethyl]ammonium Formula: C21H26FN4S+ MolecularWeight: 385.521343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CCC4=CC=CS4

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CCC4=CC=CS4

InChI

InChI=1S/C21H25FN4S/c1-15-19-14-16(22)6-7-20(19)25-21(24-15)26-11-2-4-17(9-12-26)23-10-8-18-5-3-13-27-18/h3,5-7,13-14,17,23H,2,4,8-12H2,1H3/p+1/t17-/m0/s1