6-(1-adamantylamino)-2,4,5-tris(chloranyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-(1-adamantylamino)-2,4,5-tris(chloranyl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-(1-adamantylamino)-2,4,5-trichloro-pyridin-1-ium-3-carbonitrile CAS Name: 6-(1-adamantylamino)-2,4,5-trichloro-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-(1-adamantylamino)-2,4,5-trichloropyridin-1-ium-3-carbonitrile Traditional Name: 6-(1-adamantylamino)-2,4,5-trichloro-pyridin-1-ium-3-carbonitrile Formula: C16H17Cl3N3+ MolecularWeight: 357.68528

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=C(C(=[NH+]4)Cl)C#N)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=C(C(=[NH+]4)Cl)C#N)Cl)Cl

InChI

InChI=1S/C16H16Cl3N3/c17-12-11(7-20)14(19)21-15(13(12)18)22-16-4-8-1-9(5-16)3-10(2-8)6-16/h8-10H,1-6H2,(H,21,22)/p+1