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

Systemtic Name: 2,6-bis(4-chlorophenyl)-4-hexyl-3,5-dimethyl-piperidin-1-ium-4-ol chloride Openeye Name: 2,6-bis(4-chlorophenyl)-4-hexyl-3,5-dimethyl-piperidin-1-ium-4-ol chloride CAS Name: 2,6-bis(4-chlorophenyl)-4-hexyl-3,5-dimethyl-4-piperidin-1-iumol chloride IUPAC Name: 2,6-bis(4-chlorophenyl)-4-hexyl-3,5-dimethylpiperidin-1-ium-4-ol chloride Traditional Name: 2,6-bis(4-chlorophenyl)-4-hexyl-3,5-dimethyl-piperidin-1-ium-4-ol chloride Formula: C25H34Cl3NO MolecularWeight: 470.90256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(C([NH2+]C(C1C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C)O.[Cl-]

Isomeric SMILES

CCCCCCC1(C(C([NH2+]C(C1C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C)O.[Cl-]

InChI

InChI=1S/C25H33Cl2NO.ClH/c1-4-5-6-7-16-25(29)17(2)23(19-8-12-21(26)13-9-19)28-24(18(25)3)20-10-14-22(27)15-11-20;/h8-15,17-18,23-24,28-29H,4-7,16H2,1-3H3;1H