(5-acetyloxy-2-nitro-phenyl)methyl-methyl-dioctadecyl-azanium

Systemtic Name: (5-acetyloxy-2-nitro-phenyl)methyl-methyl-dioctadecyl-azanium Openeye Name: (5-acetoxy-2-nitro-phenyl)methyl-methyl-dioctadecyl-ammonium CAS Name: (5-acetyloxy-2-nitrophenyl)methyl-methyl-dioctadecylammonium IUPAC Name: (5-acetyloxy-2-nitrophenyl)methyl-methyl-dioctadecylazanium Traditional Name: (5-acetoxy-2-nitro-benzyl)-methyl-distearyl-ammonium Formula: C46H85N2O4+ MolecularWeight: 730.1781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC1=C(C=CC(=C1)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC1=C(C=CC(=C1)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C46H85N2O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-48(4,42-44-41-45(52-43(3)49)37-38-46(44)47(50)51)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-38,41H,5-36,39-40,42H2,1-4H3/q+1