2-[4-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[[4-(benzofuran-2-yl)thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[[4-(2-benzofuranyl)-2-thiazolyl]methyl]-1-piperazine-1,4-diiumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[[4-(benzofuran-2-yl)thiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]-N-tert-butyl-acetamide Formula: C22H30N4O2S+2 MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=NC(=CS2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=NC(=CS2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H28N4O2S/c1-22(2,3)24-20(27)13-25-8-10-26(11-9-25)14-21-23-17(15-29-21)19-12-16-6-4-5-7-18(16)28-19/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,24,27)/p+2