(2S)-2-(4-tert-butylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-tert-butylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(4-tert-butylphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(4-tert-butylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(4-tert-butylphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C18H28N3+ MolecularWeight: 286.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3/c1-5-20-10-12-21(13-11-20)17(14-19)15-6-8-16(9-7-15)18(2,3)4/h6-9,17H,5,10-13H2,1-4H3/p+1/t17-/m1/s1