1,2,3,4,5,6-hexakis-decylpyridin-1-ium carbonate

Systemtic Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium carbonate Openeye Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium carbonate CAS Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium carbonate IUPAC Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium carbonate Traditional Name: 1,2,3,4,5,6-hexakis-decylpyridin-1-ium carbonate Formula: C131H252N2O3 MolecularWeight: 1903.41418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C65H126N.CH2O3/c2*1-7-13-19-25-31-37-43-49-55-61-62(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;2-1(3)4/h2*7-60H2,1-6H3;(H2,2,3,4)/q2*+1;/p-2