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

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(3-methylphenyl)ethanenitrile Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(m-tolyl)acetonitrile CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(3-methylphenyl)acetonitrile IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-methylphenyl)acetonitrile Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(m-tolyl)acetonitrile Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C#N)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C#N)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C15H19N3O/c1-12-4-3-5-14(10-12)15(11-16)18-8-6-17(7-9-18)13(2)19/h3-5,10,15H,6-9H2,1-2H3/p+1/t15-/m1/s1