bis(2-chloroethyl)-(4-methyl-4-oxidanyl-hept-2-ynyl)azanium chloride

Systemtic Name: bis(2-chloroethyl)-(4-methyl-4-oxidanyl-hept-2-ynyl)azanium chloride Openeye Name: bis(2-chloroethyl)-(4-hydroxy-4-methyl-hept-2-ynyl)ammonium chloride CAS Name: bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)ammonium chloride IUPAC Name: bis(2-chloroethyl)-(4-hydroxy-4-methylhept-2-ynyl)azanium chloride Traditional Name: bis(2-chloroethyl)-(4-hydroxy-4-methyl-hept-2-ynyl)ammonium chloride Formula: C12H22Cl3NO MolecularWeight: 302.66818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C#CC[NH+](CCCl)CCCl)O.[Cl-]

Isomeric SMILES

CCCC(C)(C#CC[NH+](CCCl)CCCl)O.[Cl-]

InChI

InChI=1S/C12H21Cl2NO.ClH/c1-3-5-12(2,16)6-4-9-15(10-7-13)11-8-14;/h16H,3,5,7-11H2,1-2H3;1H