4-[[5-chloranyl-2-(3-methylbutoxy)phenyl]methyl]morpholin-4-ium chloride

Systemtic Name: 4-[[5-chloranyl-2-(3-methylbutoxy)phenyl]methyl]morpholin-4-ium chloride Openeye Name: 4-[(5-chloro-2-isopentyloxy-phenyl)methyl]morpholin-4-ium chloride CAS Name: 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholin-4-ium chloride IUPAC Name: 4-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]morpholin-4-ium chloride Traditional Name: 4-(5-chloro-2-isoamoxy-benzyl)morpholin-4-ium chloride Formula: C16H25Cl2NO2 MolecularWeight: 334.2812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Cl)C[NH+]2CCOCC2.[Cl-]

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Cl)C[NH+]2CCOCC2.[Cl-]

InChI

InChI=1S/C16H24ClNO2.ClH/c1-13(2)5-8-20-16-4-3-15(17)11-14(16)12-18-6-9-19-10-7-18;/h3-4,11,13H,5-10,12H2,1-2H3;1H