[2-methyl-3-[nitro(phenyl)methyl]nonadecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-[nitro(phenyl)methyl]nonadecan-2-yl]azanium chloride Openeye Name: [1,1-dimethyl-2-[nitro(phenyl)methyl]octadecyl]ammonium chloride CAS Name: [2-methyl-3-[nitro(phenyl)methyl]nonadecan-2-yl]ammonium chloride IUPAC Name: [2-methyl-3-[nitro(phenyl)methyl]nonadecan-2-yl]azanium chloride Traditional Name: [1,1-dimethyl-2-[nitro(phenyl)methyl]octadecyl]ammonium chloride Formula: C27H49ClN2O2 MolecularWeight: 469.14316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C1=CC=CC=C1)[N+](=O)[O-])C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C1=CC=CC=C1)[N+](=O)[O-])C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C27H48N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(27(2,3)28)26(29(30)31)24-21-18-17-19-22-24;/h17-19,21-22,25-26H,4-16,20,23,28H2,1-3H3;1H