hexadecyl-dimethyl-[(2-nitrophenyl)methyl]azanium chloride

Systemtic Name: hexadecyl-dimethyl-[(2-nitrophenyl)methyl]azanium chloride Openeye Name: hexadecyl-dimethyl-[(2-nitrophenyl)methyl]ammonium chloride CAS Name: hexadecyl-dimethyl-[(2-nitrophenyl)methyl]ammonium chloride IUPAC Name: hexadecyl-dimethyl-[(2-nitrophenyl)methyl]azanium chloride Traditional Name: cetyl-dimethyl-(2-nitrobenzyl)ammonium chloride Formula: C25H45ClN2O2 MolecularWeight: 441.09

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C25H45N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27(2,3)23-24-20-17-18-21-25(24)26(28)29;/h17-18,20-21H,4-16,19,22-23H2,1-3H3;1H/q+1;/p-1