[2-methyl-3-[(3-nitrophenyl)methyl]-3-oxidanyl-tridecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-[(3-nitrophenyl)methyl]-3-oxidanyl-tridecan-2-yl]azanium chloride Openeye Name: [2-hydroxy-1,1-dimethyl-2-[(3-nitrophenyl)methyl]dodecyl]ammonium chloride CAS Name: [3-hydroxy-2-methyl-3-[(3-nitrophenyl)methyl]tridecan-2-yl]ammonium chloride IUPAC Name: [3-hydroxy-2-methyl-3-[(3-nitrophenyl)methyl]tridecan-2-yl]azanium chloride Traditional Name: [2-hydroxy-1,1-dimethyl-2-(3-nitrobenzyl)dodecyl]ammonium chloride Formula: C21H37ClN2O3 MolecularWeight: 400.98308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O3.ClH/c1-4-5-6-7-8-9-10-11-15-21(24,20(2,3)22)17-18-13-12-14-19(16-18)23(25)26;/h12-14,16,24H,4-11,15,17,22H2,1-3H3;1H