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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-16(2)5-7-22-21(27)23-20(26)15-25-10-8-24(9-11-25)14-17-3-4-19-18(13-17)6-12-28-19/h3-4,13,16H,5-12,14-15H2,1-2H3,(H2,22,23,26,27)/p+2