bis[(E)-tetradec-11-enyl] 1-methylpyridin-1-ium-3,5-dicarboxylate

Systemtic Name: bis[(E)-tetradec-11-enyl] 1-methylpyridin-1-ium-3,5-dicarboxylate Openeye Name: bis[(E)-tetradec-11-enyl] 1-methylpyridin-1-ium-3,5-dicarboxylate CAS Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid bis[(E)-tetradec-11-enyl] ester IUPAC Name: bis[(E)-tetradec-11-enyl] 1-methylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid bis[(E)-tetradec-11-enyl] ester Formula: C36H60NO4+ MolecularWeight: 570.8659

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCCCCCCCOC(=O)C1=CC(=C[N+](=C1)C)C(=O)OCCCCCCCCCCC=CCC

Isomeric SMILES

CC/C=C/CCCCCCCCCCOC(=O)C1=CC(=C[N+](=C1)C)C(=O)OCCCCCCCCCC/C=C/CC

InChI

InChI=1S/C36H60NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-40-35(38)33-30-34(32-37(3)31-33)36(39)41-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6-9,30-32H,4-5,10-29H2,1-3H3/q+1/b8-6+,9-7+