2-(4-methyl-1-octyl-pyridin-1-ium-3-yl)-4-octyl-1H-imidazo[4,5-b]pyridin-4-ium

Systemtic Name: 2-(4-methyl-1-octyl-pyridin-1-ium-3-yl)-4-octyl-1H-imidazo[4,5-b]pyridin-4-ium Openeye Name: 2-(4-methyl-1-octyl-pyridin-1-ium-3-yl)-4-octyl-1H-imidazo[4,5-b]pyridin-4-ium CAS Name: 2-(4-methyl-1-octyl-3-pyridin-1-iumyl)-4-octyl-1H-imidazo[4,5-b]pyridin-4-ium IUPAC Name: 2-(4-methyl-1-octylpyridin-1-ium-3-yl)-4-octyl-1H-imidazo[4,5-b]pyridin-4-ium Traditional Name: 2-(4-methyl-1-octyl-pyridin-1-ium-3-yl)-4-octyl-1H-imidazo[4,5-b]pyridin-4-ium Formula: C28H44N4+2 MolecularWeight: 436.67576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC(=C(C=C1)C)C2=NC3=C(N2)C=CC=[N+]3CCCCCCCC

Isomeric SMILES

CCCCCCCC[N+]1=CC(=C(C=C1)C)C2=NC3=C(N2)C=CC=[N+]3CCCCCCCC

InChI

InChI=1S/C28H43N4/c1-4-6-8-10-12-14-19-31-22-18-24(3)25(23-31)27-29-26-17-16-21-32(28(26)30-27)20-15-13-11-9-7-5-2/h16-18,21-23H,4-15,19-20H2,1-3H3/q+1/p+1