(4-butoxy-3-nitro-phenyl)methyl-bis(2-chloroethyl)azanium chloride

Systemtic Name: (4-butoxy-3-nitro-phenyl)methyl-bis(2-chloroethyl)azanium chloride Openeye Name: (4-butoxy-3-nitro-phenyl)methyl-bis(2-chloroethyl)ammonium chloride CAS Name: (4-butoxy-3-nitrophenyl)methyl-bis(2-chloroethyl)ammonium chloride IUPAC Name: (4-butoxy-3-nitrophenyl)methyl-bis(2-chloroethyl)azanium chloride Traditional Name: (4-butoxy-3-nitro-benzyl)-bis(2-chloroethyl)ammonium chloride Formula: C15H23Cl3N2O3 MolecularWeight: 385.71372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H22Cl2N2O3.ClH/c1-2-3-10-22-15-5-4-13(11-14(15)19(20)21)12-18(8-6-16)9-7-17;/h4-5,11H,2-3,6-10,12H2,1H3;1H