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

Systemtic Name: (2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(4-ethoxyphenyl)ethanenitrile Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-ethoxyphenyl)acetonitrile CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(4-ethoxyphenyl)acetonitrile IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-ethoxyphenyl)acetonitrile Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-p-phenetyl-acetonitrile Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C#N)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C#N)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H21N3O2/c1-3-21-15-6-4-14(5-7-15)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