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

Systemtic Name: 1-(2-ethylhexyl)-N,N-dihexyl-pyridin-1-ium-2-amine chloride Openeye Name: 1-(2-ethylhexyl)-N,N-dihexyl-pyridin-1-ium-2-amine chloride CAS Name: 1-(2-ethylhexyl)-N,N-dihexyl-2-pyridin-1-iumamine chloride IUPAC Name: 1-(2-ethylhexyl)-N,N-dihexylpyridin-1-ium-2-amine chloride Traditional Name: [1-(2-ethylhexyl)pyridin-1-ium-2-yl]-dihexyl-amine chloride Formula: C25H47ClN2 MolecularWeight: 411.10708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=CC=[N+]1CC(CC)CCCC.[Cl-]

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=CC=[N+]1CC(CC)CCCC.[Cl-]

InChI

InChI=1S/C25H47N2.ClH/c1-5-9-12-15-20-26(21-16-13-10-6-2)25-19-14-17-22-27(25)23-24(8-4)18-11-7-3;/h14,17,19,22,24H,5-13,15-16,18,20-21,23H2,1-4H3;1H/q+1;/p-1