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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C21H34N2O2/c1-20(2,3)16-13-15(14-17(19(16)25)21(4,5)6)7-8-18(24)23-11-9-22-10-12-23/h13-14,22,25H,7-12H2,1-6H3/p+1