[2-(2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride

Systemtic Name: [2-(2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride Openeye Name: [2-(2-azaniumyl-3-hydroxy-3-oxo-propyl)phenyl]methyl-bis(2-chloroethyl)ammonium dichloride CAS Name: [2-(2-ammonio-3-hydroxy-3-oxopropyl)phenyl]methyl-bis(2-chloroethyl)ammonium dichloride IUPAC Name: [2-(2-azaniumyl-3-hydroxy-3-oxopropyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride Traditional Name: [2-(2-ammonio-3-hydroxy-3-keto-propyl)benzyl]-bis(2-chloroethyl)ammonium dichloride Formula: C14H22Cl4N2O2 MolecularWeight: 392.14868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20Cl2N2O2.2ClH/c15-5-7-18(8-6-16)10-12-4-2-1-3-11(12)9-13(17)14(19)20;;/h1-4,13H,5-10,17H2,(H,19,20);2*1H