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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-hexyl-acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-hexylacetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-hexylacetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-hexyl-acetamide Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O2/c1-2-3-4-5-9-22-21(25)17-24-12-10-23(11-13-24)16-18-6-7-20-19(15-18)8-14-26-20/h6-7,15H,2-5,8-14,16-17H2,1H3,(H,22,25)/p+2