dodecyl-dimethyl-[(5-nitro-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: dodecyl-dimethyl-[(5-nitro-2-oxidanyl-phenyl)methyl]azanium Openeye Name: dodecyl-[(2-hydroxy-5-nitro-phenyl)methyl]-dimethyl-ammonium CAS Name: dodecyl-[(2-hydroxy-5-nitrophenyl)methyl]-dimethylammonium IUPAC Name: dodecyl-[(2-hydroxy-5-nitrophenyl)methyl]-dimethylazanium Traditional Name: (2-hydroxy-5-nitro-benzyl)-lauryl-dimethyl-ammonium Formula: C21H37N2O3+ MolecularWeight: 365.53008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O3/c1-4-5-6-7-8-9-10-11-12-13-16-23(2,3)18-19-17-20(22(25)26)14-15-21(19)24/h14-15,17H,4-13,16,18H2,1-3H3/p+1