(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanenitrile Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-phenyl-acetonitrile CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-phenylacetonitrile IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-phenylacetonitrile Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-phenyl-acetonitrile Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O/c1-12(18)16-7-9-17(10-8-16)14(11-15)13-5-3-2-4-6-13/h2-6,14H,7-10H2,1H3/p+1/t14-/m1/s1