[2-methyl-3-[(4-nitrophenyl)methyl]nonadecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-[(4-nitrophenyl)methyl]nonadecan-2-yl]azanium chloride Openeye Name: [1,1-dimethyl-2-[(4-nitrophenyl)methyl]octadecyl]ammonium chloride CAS Name: [2-methyl-3-[(4-nitrophenyl)methyl]nonadecan-2-yl]ammonium chloride IUPAC Name: [2-methyl-3-[(4-nitrophenyl)methyl]nonadecan-2-yl]azanium chloride Traditional Name: [1,1-dimethyl-2-(4-nitrobenzyl)octadecyl]ammonium chloride Formula: C27H49ClN2O2 MolecularWeight: 469.14316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C27H48N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27(2,3)28)23-24-19-21-26(22-20-24)29(30)31;/h19-22,25H,4-18,23,28H2,1-3H3;1H