1-[5,6-bis(chloranyl)pyridin-3-yl]-N-methyl-azepan-1-ium-1-amine

Systemtic Name: 1-[5,6-bis(chloranyl)pyridin-3-yl]-N-methyl-azepan-1-ium-1-amine Openeye Name: 1-(5,6-dichloro-3-pyridyl)-N-methyl-azepan-1-ium-1-amine CAS Name: 1-(5,6-dichloro-3-pyridinyl)-N-methyl-1-azepan-1-iumamine IUPAC Name: 1-(5,6-dichloropyridin-3-yl)-N-methylazepan-1-ium-1-amine Traditional Name: [1-(5,6-dichloro-3-pyridyl)azepan-1-ium-1-yl]-methyl-amine Formula: C12H18Cl2N3+ MolecularWeight: 275.19742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(CCCCCC1)C2=CC(=C(N=C2)Cl)Cl

Isomeric SMILES

CN[N+]1(CCCCCC1)C2=CC(=C(N=C2)Cl)Cl

InChI

InChI=1S/C12H18Cl2N3/c1-15-17(6-4-2-3-5-7-17)10-8-11(13)12(14)16-9-10/h8-9,15H,2-7H2,1H3/q+1