(2R)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)O)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)C2=CC=C(C=C2)O)C#N

InChI

InChI=1S/C14H19N3O/c1-12(10-15)11-16-6-8-17(9-7-16)13-2-4-14(18)5-3-13/h2-5,12,18H,6-9,11H2,1H3/p+1/t12-/m0/s1