1-(2-ethylhexyl)-N,N-dihexyl-pyridin-1-ium-4-amine bromide

Systemtic Name: 1-(2-ethylhexyl)-N,N-dihexyl-pyridin-1-ium-4-amine bromide Openeye Name: 1-(2-ethylhexyl)-N,N-dihexyl-pyridin-1-ium-4-amine bromide CAS Name: 1-(2-ethylhexyl)-N,N-dihexyl-4-pyridin-1-iumamine bromide IUPAC Name: 1-(2-ethylhexyl)-N,N-dihexylpyridin-1-ium-4-amine bromide Traditional Name: [1-(2-ethylhexyl)pyridin-1-ium-4-yl]-dihexyl-amine bromide Formula: C25H47BrN2 MolecularWeight: 455.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=[N+](C=C1)CC(CC)CCCC.[Br-]

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=[N+](C=C1)CC(CC)CCCC.[Br-]

InChI

InChI=1S/C25H47N2.BrH/c1-5-9-12-14-19-27(20-15-13-10-6-2)25-17-21-26(22-18-25)23-24(8-4)16-11-7-3;/h17-18,21-22,24H,5-16,19-20,23H2,1-4H3;1H/q+1;/p-1