N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C21H32N4O2+2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C21H30N4O2/c1-16(2)21(3,15-22)23-20(26)14-25-9-7-24(8-10-25)13-17-4-5-19-18(12-17)6-11-27-19/h4-5,12,16H,6-11,13-14H2,1-3H3,(H,23,26)/p+2/t21-/m0/s1