3-[4-[[2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[[2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)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)CC(C)(C)C1=CC(=C(C=C1)O)C[NH+]2CCN(CC2)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O/c1-21(2,3)17-22(4,5)19-7-8-20(26)18(15-19)16-25-13-11-24(12-14-25)10-6-9-23/h7-8,15,26H,6,10-14,16-17H2,1-5H3/p+1