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

Systemtic Name: 4-[(2-nitrophenyl)methyl]-1-octadecyl-pyridin-1-ium perchlorate Openeye Name: 4-[(2-nitrophenyl)methyl]-1-octadecyl-pyridin-1-ium perchlorate CAS Name: 4-[(2-nitrophenyl)methyl]-1-octadecylpyridin-1-ium perchlorate IUPAC Name: 4-[(2-nitrophenyl)methyl]-1-octadecylpyridin-1-ium perchlorate Traditional Name: 4-(2-nitrobenzyl)-1-stearyl-pyridin-1-ium perchlorate Formula: C30H47ClN2O6 MolecularWeight: 567.15698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H47N2O2.ClHO4/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;2-1(3,4)5/h17-18,20-23,25-26H,2-16,19,24,27H2,1H3;(H,2,3,4,5)/q+1;/p-1