[(E)-octadec-9-enyl] 1-[(E)-octadec-9-enyl]pyridin-1-ium-4-carboxylate

Systemtic Name: [(E)-octadec-9-enyl] 1-[(E)-octadec-9-enyl]pyridin-1-ium-4-carboxylate Openeye Name: [(E)-octadec-9-enyl] 1-[(E)-octadec-9-enyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[(E)-octadec-9-enyl]-4-pyridin-1-iumcarboxylic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 1-[(E)-octadec-9-enyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[(E)-octadec-9-enyl]pyridin-1-ium-4-carboxylic acid [(E)-octadec-9-enyl] ester Formula: C42H74NO2+ MolecularWeight: 625.04246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+]1=CC=C(C=C1)C(=O)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H74NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-38-35-41(36-39-43)42(44)45-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-36,38-39H,3-16,21-34,37,40H2,1-2H3/q+1/b19-17+,20-18+