2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]propyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]propyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(1R)-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1R)-1-[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]propyl]ammonio]ethyl-dimethyl-ammonium Formula: C21H27FN4O+2 MolecularWeight: 370.463683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)[NH2+]CC[NH+](C)C

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)[NH2+]CC[NH+](C)C

InChI

InChI=1S/C21H25FN4O/c1-4-18(23-13-14-25(2)3)20-24-19-8-6-5-7-17(19)21(27)26(20)16-11-9-15(22)10-12-16/h5-12,18,23H,4,13-14H2,1-3H3/p+2/t18-/m1/s1