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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C20H23ClFN4S+ MolecularWeight: 405.939823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CC4=CC=C(S4)Cl

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H22ClFN4S/c1-13-17-11-14(22)4-6-18(17)25-20(24-13)26-9-2-3-15(8-10-26)23-12-16-5-7-19(21)27-16/h4-7,11,15,23H,2-3,8-10,12H2,1H3/p+1/t15-/m0/s1