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

Systemtic Name: (2S)-2-(2-chlorophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-chlorophenyl)acetonitrile CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(2-chlorophenyl)acetonitrile IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-chlorophenyl)acetonitrile Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-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=C2Cl

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@H](C#N)C2=CC=CC=C2Cl

InChI

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