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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=[NH+]C(=C4Cl)Cl)Cl)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=[NH+]C(=C4Cl)Cl)Cl)C#N

InChI

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