N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(C)(C#N)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-15(2)20(5,14-21)22-19(25)13-23-9-11-24(12-10-23)18-8-6-7-16(3)17(18)4/h6-8,15H,9-13H2,1-5H3,(H,22,25)/p+1/t20-/m0/s1