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

Systemtic Name: [(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: [(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: benzyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C22H26FN4+ MolecularWeight: 365.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C22H25FN4/c1-16-20-14-18(23)9-10-21(20)26-22(25-16)27-12-5-8-19(11-13-27)24-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,19,24H,5,8,11-13,15H2,1H3/p+1/t19-/m0/s1