bis(2-chloroethyl)-[(3,5-dinitrophenyl)methyl]-methyl-azanium chloride

Systemtic Name: bis(2-chloroethyl)-[(3,5-dinitrophenyl)methyl]-methyl-azanium chloride Openeye Name: bis(2-chloroethyl)-[(3,5-dinitrophenyl)methyl]-methyl-ammonium chloride CAS Name: bis(2-chloroethyl)-[(3,5-dinitrophenyl)methyl]-methylammonium chloride IUPAC Name: bis(2-chloroethyl)-[(3,5-dinitrophenyl)methyl]-methylazanium chloride Traditional Name: bis(2-chloroethyl)-(3,5-dinitrobenzyl)-methyl-ammonium chloride Formula: C12H16Cl3N3O4 MolecularWeight: 372.63214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Cl2N3O4.ClH/c1-17(4-2-13,5-3-14)9-10-6-11(15(18)19)8-12(7-10)16(20)21;/h6-8H,2-5,9H2,1H3;1H/q+1;/p-1