1-octyl-N-[4-[(1-octylpyridin-1-ium-4-yl)carbonylamino]phenyl]pyridin-1-ium-4-carboxamide iodide

Systemtic Name: 1-octyl-N-[4-[(1-octylpyridin-1-ium-4-yl)carbonylamino]phenyl]pyridin-1-ium-4-carboxamide iodide Openeye Name: 1-octyl-N-[4-[(1-octylpyridin-1-ium-4-carbonyl)amino]phenyl]pyridin-1-ium-4-carboxamide iodide CAS Name: 1-octyl-N-[4-[[(1-octyl-4-pyridin-1-iumyl)-oxomethyl]amino]phenyl]-4-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-octyl-N-[4-[(1-octylpyridin-1-ium-4-carbonyl)amino]phenyl]pyridin-1-ium-4-carboxamide iodide Traditional Name: 1-octyl-N-[4-[(1-octylpyridin-1-ium-4-carbonyl)amino]phenyl]pyridin-1-ium-4-carboxamide iodide Formula: C34H48IN4O2+ MolecularWeight: 671.67499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=[N+](C=C3)CCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=[N+](C=C3)CCCCCCCC.[I-]

InChI

InChI=1S/C34H46N4O2.HI/c1-3-5-7-9-11-13-23-37-25-19-29(20-26-37)33(39)35-31-15-17-32(18-16-31)36-34(40)30-21-27-38(28-22-30)24-14-12-10-8-6-4-2;/h15-22,25-28H,3-14,23-24H2,1-2H3;1H/p+1