(5-bromanyl-2-methoxy-phenyl)methyl-bis(2-chloroethyl)azanium chloride

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-bis(2-chloroethyl)azanium chloride Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-bis(2-chloroethyl)ammonium chloride CAS Name: (5-bromo-2-methoxyphenyl)methyl-bis(2-chloroethyl)ammonium chloride IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-bis(2-chloroethyl)azanium chloride Traditional Name: (5-bromo-2-methoxy-benzyl)-bis(2-chloroethyl)ammonium chloride Formula: C12H17BrCl3NO MolecularWeight: 377.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C12H16BrCl2NO.ClH/c1-17-12-3-2-11(13)8-10(12)9-16(6-4-14)7-5-15;/h2-3,8H,4-7,9H2,1H3;1H