1-(4-tert-butylphenyl)-4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]butan-1-one chloride

Systemtic Name: 1-(4-tert-butylphenyl)-4-[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]butan-1-one chloride Openeye Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butan-1-one chloride CAS Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]-1-piperidin-1-iumyl]-1-butanone chloride IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butan-1-one chloride Traditional Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butan-1-one chloride Formula: C32H40ClNO2 MolecularWeight: 506.1185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC[NH+]2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C32H39NO2.ClH/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28;/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3;1H