2-chloroethyl-[4-[2-chloroethyl-(phenylmethyl)azaniumyl]butyl]-(phenylmethyl)azanium dichloride

Systemtic Name: 2-chloroethyl-[4-[2-chloroethyl-(phenylmethyl)azaniumyl]butyl]-(phenylmethyl)azanium dichloride Openeye Name: benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium dichloride CAS Name: 2-chloroethyl-[4-[2-chloroethyl-(phenylmethyl)ammonio]butyl]-(phenylmethyl)ammonium dichloride IUPAC Name: benzyl-[4-[benzyl(2-chloroethyl)azaniumyl]butyl]-(2-chloroethyl)azanium dichloride Traditional Name: benzyl-[4-[benzyl(2-chloroethyl)ammonio]butyl]-(2-chloroethyl)ammonium dichloride Formula: C22H32Cl4N2 MolecularWeight: 466.31488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CCCC[NH+](CCCl)CC2=CC=CC=C2)CCCl.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CCCC[NH+](CCCl)CC2=CC=CC=C2)CCCl.[Cl-].[Cl-]

InChI

InChI=1S/C22H30Cl2N2.2ClH/c23-13-17-25(19-21-9-3-1-4-10-21)15-7-8-16-26(18-14-24)20-22-11-5-2-6-12-22;;/h1-6,9-12H,7-8,13-20H2;2*1H