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

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(4-dimethylaminophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C16H25N4+ MolecularWeight: 273.3965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4/c1-4-19-9-11-20(12-10-19)16(13-17)14-5-7-15(8-6-14)18(2)3/h5-8,16H,4,9-12H2,1-3H3/p+1/t16-/m1/s1