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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1-methylbutyl]acetamide Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C20H31N3O2/c1-3-4-16(2)21-20(24)15-23-10-8-22(9-11-23)14-17-5-6-19-18(13-17)7-12-25-19/h5-6,13,16H,3-4,7-12,14-15H2,1-2H3,(H,21,24)/p+2/t16-/m0/s1