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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C#N)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-3-21-16-7-5-4-6-14(16)15(12-17)19-10-8-18(9-11-19)13(2)20/h4-7,15H,3,8-11H2,1-2H3/p+1/t15-/m0/s1