1-hexadecyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium chloride

Systemtic Name: 1-hexadecyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium chloride Openeye Name: 1-hexadecyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium chloride CAS Name: 1-hexadecyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium chloride IUPAC Name: 1-hexadecyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium chloride Traditional Name: 1-cetyl-4-[(E)-nonadec-10-enyl]pyridin-1-ium chloride Formula: C40H74ClN MolecularWeight: 604.47526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCCCCCCC/C=C/CCCCCCCC.[Cl-]

InChI

InChI=1S/C40H74N.ClH/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-40-35-38-41(39-36-40)37-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2;/h17,19,35-36,38-39H,3-16,18,20-34,37H2,1-2H3;1H/q+1;/p-1/b19-17+;