N1,N4-bis(1-octylpyridin-1-ium-4-yl)benzene-1,4-dicarboxamide iodide

Systemtic Name: N1,N4-bis(1-octylpyridin-1-ium-4-yl)benzene-1,4-dicarboxamide iodide Openeye Name: N1,N4-bis(1-octylpyridin-1-ium-4-yl)terephthalamide iodide CAS Name: N1,N4-bis(1-octyl-4-pyridin-1-iumyl)benzene-1,4-dicarboxamide iodide IUPAC Name: 1-N,4-N-bis(1-octylpyridin-1-ium-4-yl)benzene-1,4-dicarboxamide iodide Traditional Name: N,N'-bis(1-octylpyridin-1-ium-4-yl)terephthalamide iodide Formula: C34H48IN4O2+ MolecularWeight: 671.67499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=[N+](C=C3)CCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=[N+](C=C3)CCCCCCCC.[I-]

InChI

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