1-(4-tert-butylphenyl)-4-[4-[(2-hydroxyphenyl)-phenyl-methyl]piperidin-1-ium-1-yl]butan-1-one chloride

Systemtic Name: 1-(4-tert-butylphenyl)-4-[4-[(2-hydroxyphenyl)-phenyl-methyl]piperidin-1-ium-1-yl]butan-1-one chloride Openeye Name: 1-(4-tert-butylphenyl)-4-[4-[(2-hydroxyphenyl)-phenyl-methyl]piperidin-1-ium-1-yl]butan-1-one chloride CAS Name: 1-(4-tert-butylphenyl)-4-[4-[(2-hydroxyphenyl)-phenylmethyl]-1-piperidin-1-iumyl]-1-butanone chloride IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[(2-hydroxyphenyl)-phenylmethyl]piperidin-1-ium-1-yl]butan-1-one chloride Traditional Name: 1-(4-tert-butylphenyl)-4-[4-[(2-hydroxyphenyl)-phenyl-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=C4O.[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=C4O.[Cl-]

InChI

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