(2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(4-ethylphenyl)ethanenitrile

Systemtic Name: (2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(4-ethylphenyl)ethanenitrile Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-ethylphenyl)acetonitrile CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(4-ethylphenyl)acetonitrile IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-ethylphenyl)acetonitrile Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-ethylphenyl)acetonitrile Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C#N)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H21N3O/c1-3-14-4-6-15(7-5-14)16(12-17)19-10-8-18(9-11-19)13(2)20/h4-7,16H,3,8-11H2,1-2H3/p+1/t16-/m0/s1