1-[12-(2-azanyl-4-methyl-pyridin-1-ium-1-yl)dodecyl]-4-methyl-pyridin-1-ium-2-amine bromide

Systemtic Name: 1-[12-(2-azanyl-4-methyl-pyridin-1-ium-1-yl)dodecyl]-4-methyl-pyridin-1-ium-2-amine bromide Openeye Name: 1-[12-(2-amino-4-methyl-pyridin-1-ium-1-yl)dodecyl]-4-methyl-pyridin-1-ium-2-amine bromide CAS Name: 1-[12-(2-amino-4-methyl-1-pyridin-1-iumyl)dodecyl]-4-methyl-2-pyridin-1-iumamine bromide IUPAC Name: 1-[12-(2-amino-4-methylpyridin-1-ium-1-yl)dodecyl]-4-methylpyridin-1-ium-2-amine bromide Traditional Name: [1-[12-(2-amino-4-methyl-pyridin-1-ium-1-yl)dodecyl]-4-methyl-pyridin-1-ium-2-yl]amine bromide Formula: C24H40BrN4+ MolecularWeight: 464.5052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)CCCCCCCCCCCC[N+]2=C(C=C(C=C2)C)N)N.[Br-]

Isomeric SMILES

CC1=CC(=[N+](C=C1)CCCCCCCCCCCC[N+]2=C(C=C(C=C2)C)N)N.[Br-]

InChI

InChI=1S/C24H38N4.BrH/c1-21-13-17-27(23(25)19-21)15-11-9-7-5-3-4-6-8-10-12-16-28-18-14-22(2)20-24(28)26;/h13-14,17-20,25-26H,3-12,15-16H2,1-2H3;1H/p+1