(2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(4-propan-2-ylphenyl)ethanenitrile

Systemtic Name: (2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(4-propan-2-ylphenyl)ethanenitrile Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-isopropylphenyl)acetonitrile CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(4-propan-2-ylphenyl)acetonitrile IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-p-cumenyl-acetonitrile Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-13(2)15-4-6-16(7-5-15)17(12-18)20-10-8-19(9-11-20)14(3)21/h4-7,13,17H,8-11H2,1-3H3/p+1/t17-/m0/s1