dioctadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate

Systemtic Name: dioctadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate Openeye Name: dioctadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate CAS Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid dioctadecyl ester IUPAC Name: dioctadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid distearyl ester Formula: C44H80NO4+ MolecularWeight: 687.1103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C[N+](=C1)C)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C[N+](=C1)C)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H80NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-48-43(46)41-38-42(40-45(3)39-41)44(47)49-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-40H,4-37H2,1-3H3/q+1