2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C24H26N4O2/c29-24(26-22-5-1-4-21-20(22)3-2-9-25-21)17-28-12-10-27(11-13-28)16-18-6-7-23-19(15-18)8-14-30-23/h1-7,9,15H,8,10-14,16-17H2,(H,26,29)/p+1