(2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-ylphenyl)propanenitrile

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-ylphenyl)propanenitrile Openeye Name: (2R)-2-(4-isopropylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(4-propan-2-ylphenyl)propanenitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-(4-propan-2-ylphenyl)propanenitrile Traditional Name: (2R)-2-p-cumenyl-2-piperazin-4-ium-1-yl-propionitrile Formula: C16H24N3+ MolecularWeight: 258.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3/c1-13(2)14-4-6-15(7-5-14)16(3,12-17)19-10-8-18-9-11-19/h4-7,13,18H,8-11H2,1-3H3/p+1/t16-/m0/s1