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4-[(2-nitrophenyl)methyl]-1-octadecyl-pyridin-1-ium

4-[(2-nitrophenyl)methyl]-1-octadecyl-pyridin-1-ium

Systemtic Name:4-[(2-nitrophenyl)methyl]-1-octadecyl-pyridin-1-ium
Openeye Name:4-[(2-nitrophenyl)methyl]-1-octadecyl-pyridin-1-ium
CAS Name:4-[(2-nitrophenyl)methyl]-1-octadecylpyridin-1-ium
IUPAC Name:4-[(2-nitrophenyl)methyl]-1-octadecylpyridin-1-ium
Traditional Name:4-(2-nitrobenzyl)-1-stearyl-pyridin-1-ium
Formula: C30H47N2O2+
MolecularWeight: 467.70638
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H47N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-25-22-28(23-26-31)27-29-20-17-18-21-30(29)32(33)34/h17-18,20-23,25-26H,2-16,19,24,27H2,1H3/q+1


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