2-[4-[(4-bromophenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[4-[(4-bromophenyl)methyl]-1-oxidanylidene-phthalazin-2-yl]ethyl-diethyl-azanium Openeye Name: 2-[4-[(4-bromophenyl)methyl]-1-oxo-phthalazin-2-yl]ethyl-diethyl-ammonium CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-oxo-2-phthalazinyl]ethyl-diethylammonium IUPAC Name: 2-[4-[(4-bromophenyl)methyl]-1-oxophthalazin-2-yl]ethyl-diethylazanium Traditional Name: 2-[4-(4-bromobenzyl)-1-keto-phthalazin-2-yl]ethyl-diethyl-ammonium Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3O/c1-3-24(4-2)13-14-25-21(26)19-8-6-5-7-18(19)20(23-25)15-16-9-11-17(22)12-10-16/h5-12H,3-4,13-15H2,1-2H3/p+1