2,3,5-tris(chloranyl)-6-(1,4-diazepan-4-ium-1-yl)pyridine-4-carbonitrile

Systemtic Name: 2,3,5-tris(chloranyl)-6-(1,4-diazepan-4-ium-1-yl)pyridine-4-carbonitrile Openeye Name: 2,3,5-trichloro-6-(1,4-diazepan-4-ium-1-yl)pyridine-4-carbonitrile CAS Name: 2,3,5-trichloro-6-(1,4-diazepan-4-ium-1-yl)-4-pyridinecarbonitrile IUPAC Name: 2,3,5-trichloro-6-(1,4-diazepan-4-ium-1-yl)pyridine-4-carbonitrile Traditional Name: 2,3,5-trichloro-6-(1,4-diazepan-4-ium-1-yl)isonicotinonitrile Formula: C11H12Cl3N4+ MolecularWeight: 306.59878

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC(=C(C(=C2Cl)C#N)Cl)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC(=C(C(=C2Cl)C#N)Cl)Cl

InChI

InChI=1S/C11H11Cl3N4/c12-8-7(6-15)9(13)11(17-10(8)14)18-4-1-2-16-3-5-18/h16H,1-5H2/p+1