6-azanyl-1-butyl-4-(butylamino)-2-chloranyl-pyridin-1-ium-3-carbonitrile chloride

Systemtic Name: 6-azanyl-1-butyl-4-(butylamino)-2-chloranyl-pyridin-1-ium-3-carbonitrile chloride Openeye Name: 6-amino-1-butyl-4-(butylamino)-2-chloro-pyridin-1-ium-3-carbonitrile chloride CAS Name: 6-amino-1-butyl-4-(butylamino)-2-chloro-3-pyridin-1-iumcarbonitrile chloride IUPAC Name: 6-amino-1-butyl-4-(butylamino)-2-chloropyridin-1-ium-3-carbonitrile chloride Traditional Name: 6-amino-1-butyl-4-(butylamino)-2-chloro-pyridin-1-ium-3-carbonitrile chloride Formula: C14H22Cl2N4 MolecularWeight: 317.25728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=[N+](C(=C1C#N)Cl)CCCC)N.[Cl-]

Isomeric SMILES

CCCCNC1=CC(=[N+](C(=C1C#N)Cl)CCCC)N.[Cl-]

InChI

InChI=1S/C14H21ClN4.ClH/c1-3-5-7-18-12-9-13(17)19(8-6-4-2)14(15)11(12)10-16;/h9H,3-8H2,1-2H3,(H2,17,18);1H