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

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,4,6-trimethylphenyl)ethanenitrile Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,4,6-trimethylphenyl)acetonitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(2,4,6-trimethylphenyl)acetonitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,4,6-trimethylphenyl)acetonitrile Traditional Name: (2R)-2-mesityl-2-piperazin-4-ium-1-yl-acetonitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3/c1-11-8-12(2)15(13(3)9-11)14(10-16)18-6-4-17-5-7-18/h8-9,14,17H,4-7H2,1-3H3/p+1/t14-/m0/s1