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

Systemtic Name: (2R)-3-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-13(11-17)12-18-7-9-19(10-8-18)16-5-3-15(4-6-16)14(2)20/h3-6,13H,7-10,12H2,1-2H3/p+1/t13-/m0/s1