bis(2-chloroethyl)-[(3-nitro-4-propoxy-phenyl)methyl]azanium chloride

Systemtic Name: bis(2-chloroethyl)-[(3-nitro-4-propoxy-phenyl)methyl]azanium chloride Openeye Name: bis(2-chloroethyl)-[(3-nitro-4-propoxy-phenyl)methyl]ammonium chloride CAS Name: bis(2-chloroethyl)-[(3-nitro-4-propoxyphenyl)methyl]ammonium chloride IUPAC Name: bis(2-chloroethyl)-[(3-nitro-4-propoxyphenyl)methyl]azanium chloride Traditional Name: bis(2-chloroethyl)-(3-nitro-4-propoxy-benzyl)ammonium chloride Formula: C14H21Cl3N2O3 MolecularWeight: 371.68714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H20Cl2N2O3.ClH/c1-2-9-21-14-4-3-12(10-13(14)18(19)20)11-17(7-5-15)8-6-16;/h3-4,10H,2,5-9,11H2,1H3;1H