bis(2-chloroethyl)-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium

Systemtic Name: bis(2-chloroethyl)-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium Openeye Name: bis(2-chloroethyl)-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]ammonium CAS Name: bis(2-chloroethyl)-[(4-methoxy-3-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: bis(2-chloroethyl)-[(4-methoxy-3-methoxycarbonylphenyl)methyl]azanium Traditional Name: (3-carbomethoxy-4-methoxy-benzyl)-bis(2-chloroethyl)ammonium Formula: C14H20Cl2NO3+ MolecularWeight: 321.2195

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)C(=O)OC

InChI

InChI=1S/C14H19Cl2NO3/c1-19-13-4-3-11(9-12(13)14(18)20-2)10-17(7-5-15)8-6-16/h3-4,9H,5-8,10H2,1-2H3/p+1