1,2,3,4,5,6-hexakis-decylpyridin-1-ium chloride hydrate

Systemtic Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium chloride hydrate Openeye Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium chloride hydrate CAS Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium chloride hydrate IUPAC Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium chloride hydrate Traditional Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium chloride hydrate Formula: C65H128ClNO MolecularWeight: 975.17092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=[N+](C(=C1CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC.O.[Cl-]

Isomeric SMILES

CCCCCCCCCCC1=C(C(=[N+](C(=C1CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC.O.[Cl-]

InChI

InChI=1S/C65H126N.ClH.H2O/c1-7-13-19-25-31-37-43-49-55-61-62(56-50-44-38-32-26-20-14-8-2)64(58-52-46-40-34-28-22-16-10-4)66(60-54-48-42-36-30-24-18-12-6)65(59-53-47-41-35-29-23-17-11-5)63(61)57-51-45-39-33-27-21-15-9-3;;/h7-60H2,1-6H3;1H;1H2/q+1;;/p-1