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1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium

1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium

Systemtic Name:1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium
Openeye Name:1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium
CAS Name:1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium
IUPAC Name:1-octadecyl-4-[(1E)-1-phenylbuta-1,3-dienyl]pyridin-1-ium
Traditional Name:4-[(1E)-1-phenylbuta-1,3-dienyl]-1-stearyl-pyridin-1-ium
Formula: C33H50N+
MolecularWeight: 460.7568
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=CC=C)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)/C(=C/C=C)/C2=CC=CC=C2


InChI

InChI=1S/C33H50N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-34-29-26-32(27-30-34)33(23-4-2)31-24-20-19-21-25-31/h4,19-21,23-27,29-30H,2-3,5-18,22,28H2,1H3/q+1/b33-23+


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