4-[[2-[2-(4-bromophenyl)ethenyl]-7-chloranyl-quinazolin-4-yl]azaniumyl]pentyl-diethyl-azanium

Systemtic Name: 4-[[2-[2-(4-bromophenyl)ethenyl]-7-chloranyl-quinazolin-4-yl]azaniumyl]pentyl-diethyl-azanium Openeye Name: 4-[[2-[2-(4-bromophenyl)vinyl]-7-chloro-quinazolin-4-yl]ammonio]pentyl-diethyl-ammonium CAS Name: 4-[[2-[2-(4-bromophenyl)ethenyl]-7-chloro-4-quinazolinyl]ammonio]pentyl-diethylammonium IUPAC Name: 4-[[2-[2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]azaniumyl]pentyl-diethylazanium Traditional Name: 4-[[2-[2-(4-bromophenyl)vinyl]-7-chloro-quinazolin-4-yl]ammonio]pentyl-diethyl-ammonium Formula: C25H32BrClN4+2 MolecularWeight: 503.90538

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]C1=NC(=NC2=C1C=CC(=C2)Cl)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

CC[NH+](CC)CCCC(C)[NH2+]C1=NC(=NC2=C1C=CC(=C2)Cl)C=CC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H30BrClN4/c1-4-31(5-2)16-6-7-18(3)28-25-22-14-13-21(27)17-23(22)29-24(30-25)15-10-19-8-11-20(26)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,28,29,30)/p+2