dimethyl-[1-(4-nitrophenyl)tridecan-2-yl]azanium chloride

Systemtic Name: dimethyl-[1-(4-nitrophenyl)tridecan-2-yl]azanium chloride Openeye Name: dimethyl-[1-[(4-nitrophenyl)methyl]dodecyl]ammonium chloride CAS Name: dimethyl-[1-(4-nitrophenyl)tridecan-2-yl]ammonium chloride IUPAC Name: dimethyl-[1-(4-nitrophenyl)tridecan-2-yl]azanium chloride Traditional Name: dimethyl-[1-(4-nitrobenzyl)dodecyl]ammonium chloride Formula: C21H37ClN2O2 MolecularWeight: 384.98368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-21(22(2)3)18-19-14-16-20(17-15-19)23(24)25;/h14-17,21H,4-13,18H2,1-3H3;1H