bis(2-chloroethyl)-methyl-[(4-methylsulfonylphenyl)methyl]azanium chloride

Systemtic Name: bis(2-chloroethyl)-methyl-[(4-methylsulfonylphenyl)methyl]azanium chloride Openeye Name: bis(2-chloroethyl)-methyl-[(4-methylsulfonylphenyl)methyl]ammonium chloride CAS Name: bis(2-chloroethyl)-methyl-[(4-methylsulfonylphenyl)methyl]ammonium chloride IUPAC Name: bis(2-chloroethyl)-methyl-[(4-methylsulfonylphenyl)methyl]azanium chloride Traditional Name: bis(2-chloroethyl)-(4-mesylbenzyl)-methyl-ammonium chloride Formula: C13H20Cl3NO2S MolecularWeight: 360.7274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20Cl2NO2S.ClH/c1-16(9-7-14,10-8-15)11-12-3-5-13(6-4-12)19(2,17)18;/h3-6H,7-11H2,1-2H3;1H/q+1;/p-1