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

Systemtic Name: 3-[4-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(4-hydroxy-3,5-diisopropyl-phenyl)methyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-hydroxy-3,5-diisopropyl-benzyl)piperazin-4-ium-1-yl]propionitrile Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O/c1-15(2)18-12-17(13-19(16(3)4)20(18)24)14-23-10-8-22(9-11-23)7-5-6-21/h12-13,15-16,24H,5,7-11,14H2,1-4H3/p+1