(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethanenitrile

Systemtic Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenyl)ethanenitrile Openeye Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-isopropylphenyl)acetonitrile CAS Name: (2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-propan-2-ylphenyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile Traditional Name: (2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-p-cumenyl-acetonitrile Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3/c1-4-19-9-11-20(12-10-19)17(13-18)16-7-5-15(6-8-16)14(2)3/h5-8,14,17H,4,9-12H2,1-3H3/p+1/t17-/m1/s1