6-azanyl-5-bromanyl-2-chloranyl-1-decyl-4-(decylamino)pyridin-1-ium-3-carbonitrile bromide

Systemtic Name: 6-azanyl-5-bromanyl-2-chloranyl-1-decyl-4-(decylamino)pyridin-1-ium-3-carbonitrile bromide Openeye Name: 6-amino-5-bromo-2-chloro-1-decyl-4-(decylamino)pyridin-1-ium-3-carbonitrile bromide CAS Name: 6-amino-5-bromo-2-chloro-1-decyl-4-(decylamino)-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 6-amino-5-bromo-2-chloro-1-decyl-4-(decylamino)pyridin-1-ium-3-carbonitrile bromide Traditional Name: 6-amino-5-bromo-2-chloro-1-decyl-4-(decylamino)pyridin-1-ium-3-carbonitrile bromide Formula: C26H45Br2ClN4 MolecularWeight: 608.9233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=C(C(=[N+](C(=C1Br)N)CCCCCCCCCC)Cl)C#N.[Br-]

Isomeric SMILES

CCCCCCCCCCNC1=C(C(=[N+](C(=C1Br)N)CCCCCCCCCC)Cl)C#N.[Br-]

InChI

InChI=1S/C26H44BrClN4.BrH/c1-3-5-7-9-11-13-15-17-19-31-24-22(21-29)25(28)32(26(30)23(24)27)20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3,(H2,30,31);1H