3-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-(3,5-ditert-butyl-4-hydroxy-benzyl)piperazin-4-ium-1-yl]propionitrile Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)CCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCN(CC2)CCC#N

InChI

InChI=1S/C22H35N3O/c1-21(2,3)18-14-17(15-19(20(18)26)22(4,5)6)16-25-12-10-24(11-13-25)9-7-8-23/h14-15,26H,7,9-13,16H2,1-6H3/p+1