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

Systemtic Name: bis(2-chloroethyl)-[(5-methyl-2-pentoxy-phenyl)methyl]azanium Openeye Name: bis(2-chloroethyl)-[(5-methyl-2-pentoxy-phenyl)methyl]ammonium CAS Name: bis(2-chloroethyl)-[(5-methyl-2-pentoxyphenyl)methyl]ammonium IUPAC Name: bis(2-chloroethyl)-[(5-methyl-2-pentoxyphenyl)methyl]azanium Traditional Name: (2-amoxy-5-methyl-benzyl)-bis(2-chloroethyl)ammonium Formula: C17H28Cl2NO+ MolecularWeight: 333.31632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C)C[NH+](CCCl)CCCl

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C)C[NH+](CCCl)CCCl

InChI

InChI=1S/C17H27Cl2NO/c1-3-4-5-12-21-17-7-6-15(2)13-16(17)14-20(10-8-18)11-9-19/h6-7,13H,3-5,8-12,14H2,1-2H3/p+1