N-(2,6-diethylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C25H33N3O2/c1-3-20-6-5-7-21(4-2)25(20)26-24(29)18-28-13-11-27(12-14-28)17-19-8-9-23-22(16-19)10-15-30-23/h5-9,16H,3-4,10-15,17-18H2,1-2H3,(H,26,29)/p+1