4-[4-[(9E,28E)-heptatriaconta-9,28-dien-19-yl]pyridin-1-ium-1-yl]butyl-trimethyl-azanium

Systemtic Name: 4-[4-[(9E,28E)-heptatriaconta-9,28-dien-19-yl]pyridin-1-ium-1-yl]butyl-trimethyl-azanium Openeye Name: trimethyl-[4-[4-[(E)-1-[(E)-octadec-9-enyl]nonadec-10-enyl]pyridin-1-ium-1-yl]butyl]ammonium CAS Name: 4-[4-[(9E,28E)-heptatriaconta-9,28-dien-19-yl]-1-pyridin-1-iumyl]butyl-trimethylammonium IUPAC Name: 4-[4-[(9E,28E)-heptatriaconta-9,28-dien-19-yl]pyridin-1-ium-1-yl]butyl-trimethylazanium Traditional Name: trimethyl-[4-[4-[(E)-1-[(E)-octadec-9-enyl]nonadec-10-enyl]pyridin-1-ium-1-yl]butyl]ammonium Formula: C49H92N2+2 MolecularWeight: 709.26818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)C1=CC=[N+](C=C1)CCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C1=CC=[N+](C=C1)CCCC[N+](C)(C)C)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C49H92N2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-48(49-42-45-50(46-43-49)44-38-39-47-51(3,4)5)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42-43,45-46,48H,6-19,24-41,44,47H2,1-5H3/q+2/b22-20+,23-21+