(2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(4-tert-butylphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C16H24N3+ MolecularWeight: 258.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C16H23N3/c1-16(2,3)14-6-4-13(5-7-14)15(12-17)19-10-8-18-9-11-19/h4-7,15,18H,8-11H2,1-3H3/p+1/t15-/m0/s1