bis(2-chloroethyl)-[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]azanium chloride

Systemtic Name: bis(2-chloroethyl)-[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]azanium chloride Openeye Name: bis(2-chloroethyl)-[4-(4-hydroxy-4-oxo-butyl)phenyl]ammonium chloride CAS Name: bis(2-chloroethyl)-[4-(4-hydroxy-4-oxobutyl)phenyl]ammonium chloride IUPAC Name: bis(2-chloroethyl)-[4-(4-hydroxy-4-oxobutyl)phenyl]azanium chloride Traditional Name: bis(2-chloroethyl)-[4-(4-hydroxy-4-keto-butyl)phenyl]ammonium chloride Formula: C14H20Cl3NO2 MolecularWeight: 340.6731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C14H19Cl2NO2.ClH/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;/h4-7H,1-3,8-11H2,(H,18,19);1H