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

Systemtic Name: N-(1-adamantyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C25H37N3O2+2 MolecularWeight: 411.58018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H35N3O2/c29-24(26-25-13-19-9-20(14-25)11-21(10-19)15-25)17-28-6-4-27(5-7-28)16-18-1-2-23-22(12-18)3-8-30-23/h1-2,12,19-21H,3-11,13-17H2,(H,26,29)/p+2