[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [3-[3-[bis(2-chloroethyl)amino]phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [1-[[3-[bis(2-chloroethyl)amino]phenyl]methyl]-2-hydroxy-2-oxo-ethyl]ammonium chloride CAS Name: [3-[3-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [3-[3-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-oxopropan-2-yl]azanium chloride Traditional Name: [1-[3-[bis(2-chloroethyl)amino]benzyl]-2-hydroxy-2-keto-ethyl]ammonium chloride Formula: C13H19Cl3N2O2 MolecularWeight: 341.66116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2N2O2.ClH/c14-4-6-17(7-5-15)11-3-1-2-10(8-11)9-12(16)13(18)19;/h1-3,8,12H,4-7,9,16H2,(H,18,19);1H