6-azanyl-2-chloranyl-1-octyl-4-(octylamino)pyridin-1-ium-3-carbonitrile chloride

Systemtic Name: 6-azanyl-2-chloranyl-1-octyl-4-(octylamino)pyridin-1-ium-3-carbonitrile chloride Openeye Name: 6-amino-2-chloro-1-octyl-4-(octylamino)pyridin-1-ium-3-carbonitrile chloride CAS Name: 6-amino-2-chloro-1-octyl-4-(octylamino)-3-pyridin-1-iumcarbonitrile chloride IUPAC Name: 6-amino-2-chloro-1-octyl-4-(octylamino)pyridin-1-ium-3-carbonitrile chloride Traditional Name: 6-amino-2-chloro-1-octyl-4-(octylamino)pyridin-1-ium-3-carbonitrile chloride Formula: C22H38Cl2N4 MolecularWeight: 429.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=[N+](C(=C1C#N)Cl)CCCCCCCC)N.[Cl-]

Isomeric SMILES

CCCCCCCCNC1=CC(=[N+](C(=C1C#N)Cl)CCCCCCCC)N.[Cl-]

InChI

InChI=1S/C22H37ClN4.ClH/c1-3-5-7-9-11-13-15-26-20-17-21(25)27(22(23)19(20)18-24)16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3,(H2,25,26);1H