N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C25H34N4O+2 MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O/c1-20(2)25(3,19-26)27-23(30)18-28-14-16-29(17-15-28)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,24H,14-18H2,1-3H3,(H,27,30)/p+2/t25-/m0/s1