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

Systemtic Name: 1-(2-ethylhexyl)-N,N-dihexyl-pyridin-1-ium-4-amine chloride Openeye Name: 1-(2-ethylhexyl)-N,N-dihexyl-pyridin-1-ium-4-amine chloride CAS Name: 1-(2-ethylhexyl)-N,N-dihexyl-4-pyridin-1-iumamine chloride IUPAC Name: 1-(2-ethylhexyl)-N,N-dihexylpyridin-1-ium-4-amine chloride Traditional Name: [1-(2-ethylhexyl)pyridin-1-ium-4-yl]-dihexyl-amine chloride Formula: C25H47ClN2 MolecularWeight: 411.10708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47N2.ClH/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