2-[4-[1-(2-ethylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-(2-ethylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[1-(2-ethylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[1-(2-ethylhexyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[4-[1-(2-ethylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-[1-(2-ethylhexyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]acetic acid Formula: C20H28N2O2+2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(=O)O

Isomeric SMILES

CCCCC(CC)C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(=O)O

InChI

InChI=1S/C20H27N2O2/c1-3-5-6-17(4-2)15-21-11-7-18(8-12-21)19-9-13-22(14-10-19)16-20(23)24/h7-14,17H,3-6,15-16H2,1-2H3/q+1/p+1