2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propyl-piperidin-1-ium-4-ol chloride

Systemtic Name: 2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propyl-piperidin-1-ium-4-ol chloride Openeye Name: 2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propyl-piperidin-1-ium-4-ol chloride CAS Name: 2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propyl-4-piperidin-1-iumol chloride IUPAC Name: 2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-1-ium-4-ol chloride Traditional Name: 2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propyl-piperidin-1-ium-4-ol chloride Formula: C22H28Cl3NO MolecularWeight: 428.82282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C([NH2+]C(C(C1(C)O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CCCC1C([NH2+]C(C(C1(C)O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C22H27Cl2NO.ClH/c1-4-5-19-21(16-8-12-18(24)13-9-16)25-20(14(2)22(19,3)26)15-6-10-17(23)11-7-15;/h6-14,19-21,25-26H,4-5H2,1-3H3;1H