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

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-methylacetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methylacetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C20H30N4O2+2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-20(2,15-21)22(3)19(25)14-24-9-7-23(8-10-24)13-16-4-5-18-17(12-16)6-11-26-18/h4-5,12H,6-11,13-14H2,1-3H3/p+2