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

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethanenitrile Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-acetonitrile CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-phenylacetonitrile IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenylacetonitrile Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-acetonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3/c1-2-16-8-10-17(11-9-16)14(12-15)13-6-4-3-5-7-13/h3-7,14H,2,8-11H2,1H3/p+1/t14-/m1/s1