4-(3-azanyl-4,6-diphenyl-1H-pyridazin-1-ium-2-yl)butanenitrile bromide

Systemtic Name: 4-(3-azanyl-4,6-diphenyl-1H-pyridazin-1-ium-2-yl)butanenitrile bromide Openeye Name: 4-(3-amino-4,6-diphenyl-1H-pyridazin-1-ium-2-yl)butanenitrile bromide CAS Name: 4-(3-amino-4,6-diphenyl-1H-pyridazin-1-ium-2-yl)butanenitrile bromide IUPAC Name: 4-(3-amino-4,6-diphenyl-1H-pyridazin-1-ium-2-yl)butanenitrile bromide Traditional Name: 4-(3-amino-4,6-diphenyl-1H-pyridazin-1-ium-2-yl)butyronitrile bromide Formula: C20H21BrN4 MolecularWeight: 397.31154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(N([NH2+]2)CCCC#N)N)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(N([NH2+]2)CCCC#N)N)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H20N4.BrH/c21-13-7-8-14-24-20(22)18(16-9-3-1-4-10-16)15-19(23-24)17-11-5-2-6-12-17;/h1-6,9-12,15,23H,7-8,14,22H2;1H