bis(2-chloroethyl)-(4-methyl-4-oxidanyl-oct-1-ynyl)azanium chloride

Systemtic Name: bis(2-chloroethyl)-(4-methyl-4-oxidanyl-oct-1-ynyl)azanium chloride Openeye Name: bis(2-chloroethyl)-(4-hydroxy-4-methyl-oct-1-ynyl)ammonium chloride CAS Name: bis(2-chloroethyl)-(4-hydroxy-4-methyloct-1-ynyl)ammonium chloride IUPAC Name: bis(2-chloroethyl)-(4-hydroxy-4-methyloct-1-ynyl)azanium chloride Traditional Name: bis(2-chloroethyl)-(4-hydroxy-4-methyl-oct-1-ynyl)ammonium chloride Formula: C13H24Cl3NO MolecularWeight: 316.69476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23Cl2NO.ClH/c1-3-4-6-13(2,17)7-5-10-16(11-8-14)12-9-15;/h17H,3-4,6-9,11-12H2,1-2H3;1H