bis(2-chloroethyl)-[[5-methyl-2-(2-methylpropoxy)phenyl]methyl]azanium chloride

Systemtic Name: bis(2-chloroethyl)-[[5-methyl-2-(2-methylpropoxy)phenyl]methyl]azanium chloride Openeye Name: bis(2-chloroethyl)-[(2-isobutoxy-5-methyl-phenyl)methyl]ammonium chloride CAS Name: bis(2-chloroethyl)-[[5-methyl-2-(2-methylpropoxy)phenyl]methyl]ammonium chloride IUPAC Name: bis(2-chloroethyl)-[[5-methyl-2-(2-methylpropoxy)phenyl]methyl]azanium chloride Traditional Name: bis(2-chloroethyl)-(2-isobutoxy-5-methyl-benzyl)ammonium chloride Formula: C16H26Cl3NO MolecularWeight: 354.74274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C)C)C[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(C)C)C[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C16H25Cl2NO.ClH/c1-13(2)12-20-16-5-4-14(3)10-15(16)11-19(8-6-17)9-7-18;/h4-5,10,13H,6-9,11-12H2,1-3H3;1H