diethyl-[2-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methylazaniumyl]ethyl]azanium

Systemtic Name: diethyl-[2-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methylazaniumyl]ethyl]azanium Openeye Name: diethyl-[2-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methylammonio]ethyl]ammonium CAS Name: diethyl-[2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methylammonio]ethyl]ammonium IUPAC Name: diethyl-[2-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methylazaniumyl]ethyl]azanium Traditional Name: diethyl-[2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methylammonio]ethyl]ammonium Formula: C21H27FN4O+2 MolecularWeight: 370.463683

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+](CC)CC[NH2+]CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F

InChI

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