(3,4-dinitrophenyl)methyl-bis(2-hydroxyethyl)-methyl-azanium chloride

Systemtic Name: (3,4-dinitrophenyl)methyl-bis(2-hydroxyethyl)-methyl-azanium chloride Openeye Name: (3,4-dinitrophenyl)methyl-bis(2-hydroxyethyl)-methyl-ammonium chloride CAS Name: (3,4-dinitrophenyl)methyl-bis(2-hydroxyethyl)-methylammonium chloride IUPAC Name: (3,4-dinitrophenyl)methyl-bis(2-hydroxyethyl)-methylazanium chloride Traditional Name: (3,4-dinitrobenzyl)-bis(2-hydroxyethyl)-methyl-ammonium chloride Formula: C12H18ClN3O6 MolecularWeight: 335.74082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N3O6.ClH/c1-15(4-6-16,5-7-17)9-10-2-3-11(13(18)19)12(8-10)14(20)21;/h2-3,8,16-17H,4-7,9H2,1H3;1H/q+1;/p-1