(2S)-2-(3-chlorophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(3-chlorophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-chlorophenyl)acetonitrile CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(3-chlorophenyl)acetonitrile IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-chlorophenyl)acetonitrile Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-chlorophenyl)acetonitrile Formula: C14H17ClN3O+ MolecularWeight: 278.75728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O/c1-11(19)17-5-7-18(8-6-17)14(10-16)12-3-2-4-13(15)9-12/h2-4,9,14H,5-8H2,1H3/p+1/t14-/m1/s1