1-butyl-4-[2,3,4,5,6-pentakis(1-butylpyridin-1-ium-4-yl)phenyl]pyridin-1-ium

Systemtic Name: 1-butyl-4-[2,3,4,5,6-pentakis(1-butylpyridin-1-ium-4-yl)phenyl]pyridin-1-ium Openeye Name: 1-butyl-4-[2,3,4,5,6-pentakis(1-butylpyridin-1-ium-4-yl)phenyl]pyridin-1-ium CAS Name: 1-butyl-4-[2,3,4,5,6-pentakis(1-butyl-4-pyridin-1-iumyl)phenyl]pyridin-1-ium IUPAC Name: 1-butyl-4-[2,3,4,5,6-pentakis(1-butylpyridin-1-ium-4-yl)phenyl]pyridin-1-ium Traditional Name: 1-butyl-4-[2,3,4,5,6-pentakis(1-butylpyridin-1-ium-4-yl)phenyl]pyridin-1-ium Formula: C60H78N6+6 MolecularWeight: 883.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=[N+](C=C3)CCCC)C4=CC=[N+](C=C4)CCCC)C5=CC=[N+](C=C5)CCCC)C6=CC=[N+](C=C6)CCCC)C7=CC=[N+](C=C7)CCCC

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=[N+](C=C3)CCCC)C4=CC=[N+](C=C4)CCCC)C5=CC=[N+](C=C5)CCCC)C6=CC=[N+](C=C6)CCCC)C7=CC=[N+](C=C7)CCCC

InChI

InChI=1S/C60H78N6/c1-7-13-31-61-37-19-49(20-38-61)55-56(50-21-39-62(40-22-50)32-14-8-2)58(52-25-43-64(44-26-52)34-16-10-4)60(54-29-47-66(48-30-54)36-18-12-6)59(53-27-45-65(46-28-53)35-17-11-5)57(55)51-23-41-63(42-24-51)33-15-9-3/h19-30,37-48H,7-18,31-36H2,1-6H3/q+6