N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H36N4O+2 MolecularWeight: 372.54744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C22H34N4O/c1-17(2)20-8-6-19(7-9-20)14-25-10-12-26(13-11-25)15-21(27)24-22(5,16-23)18(3)4/h6-9,17-18H,10-15H2,1-5H3,(H,24,27)/p+2/t22-/m1/s1