6-azanyl-2-chloranyl-1-hexyl-4-(hexylamino)pyridin-1-ium-3-carbonitrile chloride

Systemtic Name: 6-azanyl-2-chloranyl-1-hexyl-4-(hexylamino)pyridin-1-ium-3-carbonitrile chloride Openeye Name: 6-amino-2-chloro-1-hexyl-4-(hexylamino)pyridin-1-ium-3-carbonitrile chloride CAS Name: 6-amino-2-chloro-1-hexyl-4-(hexylamino)-3-pyridin-1-iumcarbonitrile chloride IUPAC Name: 6-amino-2-chloro-1-hexyl-4-(hexylamino)pyridin-1-ium-3-carbonitrile chloride Traditional Name: 6-amino-2-chloro-1-hexyl-4-(hexylamino)pyridin-1-ium-3-carbonitrile chloride Formula: C18H30Cl2N4 MolecularWeight: 373.3636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC(=[N+](C(=C1C#N)Cl)CCCCCC)N.[Cl-]

Isomeric SMILES

CCCCCCNC1=CC(=[N+](C(=C1C#N)Cl)CCCCCC)N.[Cl-]

InChI

InChI=1S/C18H29ClN4.ClH/c1-3-5-7-9-11-22-16-13-17(21)23(12-10-8-6-4-2)18(19)15(16)14-20;/h13H,3-12H2,1-2H3,(H2,21,22);1H