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

Systemtic Name: cyclohexyl-[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: cyclohexyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: cyclohexyl-[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: cyclohexyl-[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: cyclohexyl-[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C21H30FN4+ MolecularWeight: 357.488103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCCC(CC3)[NH2+]C4CCCCC4

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC[C@@H](CC3)[NH2+]C4CCCCC4

InChI

InChI=1S/C21H29FN4/c1-15-19-14-16(22)9-10-20(19)25-21(23-15)26-12-5-8-18(11-13-26)24-17-6-3-2-4-7-17/h9-10,14,17-18,24H,2-8,11-13H2,1H3/p+1/t18-/m0/s1