(2R)-2-piperazin-4-ium-1-yl-2-(2,4,6-trimethylphenyl)propanenitrile

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,4,6-trimethylphenyl)propanenitrile Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,4,6-trimethylphenyl)propanenitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(2,4,6-trimethylphenyl)propanenitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,4,6-trimethylphenyl)propanenitrile Traditional Name: (2R)-2-mesityl-2-piperazin-4-ium-1-yl-propionitrile Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C)(C#N)N2CC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@](C)(C#N)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H23N3/c1-12-9-13(2)15(14(3)10-12)16(4,11-17)19-7-5-18-6-8-19/h9-10,18H,5-8H2,1-4H3/p+1/t16-/m0/s1