1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-piperidin-1-ium-1-yl-propan-1-one Formula: C22H36NO2+ MolecularWeight: 346.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CC[NH+]2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CC[NH+]2CCCCC2

InChI

InChI=1S/C22H35NO2/c1-21(2,3)17-14-16(15-18(20(17)25)22(4,5)6)19(24)10-13-23-11-8-7-9-12-23/h14-15,25H,7-13H2,1-6H3/p+1