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

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(4-ethylphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(4-ethylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)N2CC[NH+](CC2)CC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C#N)N2CC[NH+](CC2)CC

InChI

InChI=1S/C16H23N3/c1-3-14-5-7-15(8-6-14)16(13-17)19-11-9-18(4-2)10-12-19/h5-8,16H,3-4,9-12H2,1-2H3/p+1/t16-/m1/s1