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1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium

1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium

Systemtic Name:1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
Openeye Name:1-octadecyl-4-[(E)-styryl]pyridin-1-ium
CAS Name:1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
IUPAC Name:1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
Traditional Name:1-stearyl-4-[(E)-styryl]pyridin-1-ium
Formula: C31H48N+
MolecularWeight: 434.71952
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=CC=C2


Isomeric SMILES

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


InChI

InChI=1S/C31H48N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-28-25-31(26-29-32)24-23-30-21-18-17-19-22-30/h17-19,21-26,28-29H,2-16,20,27H2,1H3/q+1/b24-23+


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