1-[(2S)-3-(4-chloranylphenoxy)-2-methyl-propyl]-4-methyl-piperidin-1-ium chloride

Systemtic Name: 1-[(2S)-3-(4-chloranylphenoxy)-2-methyl-propyl]-4-methyl-piperidin-1-ium chloride Openeye Name: 1-[(2S)-3-(4-chlorophenoxy)-2-methyl-propyl]-4-methyl-piperidin-1-ium chloride CAS Name: 1-[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidin-1-ium chloride IUPAC Name: 1-[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidin-1-ium chloride Traditional Name: 1-[(2S)-3-(4-chlorophenoxy)-2-methyl-propyl]-4-methyl-piperidin-1-ium chloride Formula: C16H25Cl2NO MolecularWeight: 318.2818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)COC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](C)COC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C16H24ClNO.ClH/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16;/h3-6,13-14H,7-12H2,1-2H3;1H/t14-;/m0./s1