[4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]methyl-[(3-cyanophenyl)methyl]-methyl-azanium

Systemtic Name: [4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]methyl-[(3-cyanophenyl)methyl]-methyl-azanium Openeye Name: (3-cyanophenyl)methyl-[(4,5-dibromo-6-oxo-pyridazin-1-yl)methyl]-methyl-ammonium CAS Name: (3-cyanophenyl)methyl-[(4,5-dibromo-6-oxo-1-pyridazinyl)methyl]-methylammonium IUPAC Name: (3-cyanophenyl)methyl-[(4,5-dibromo-6-oxopyridazin-1-yl)methyl]-methylazanium Traditional Name: (3-cyanobenzyl)-[(4,5-dibromo-6-keto-pyridazin-1-yl)methyl]-methyl-ammonium Formula: C14H13Br2N4O+ MolecularWeight: 413.08722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C#N)CN2C(=O)C(=C(C=N2)Br)Br

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C#N)CN2C(=O)C(=C(C=N2)Br)Br

InChI

InChI=1S/C14H12Br2N4O/c1-19(8-11-4-2-3-10(5-11)6-17)9-20-14(21)13(16)12(15)7-18-20/h2-5,7H,8-9H2,1H3/p+1