N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(2-benzofuranyl)ethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O2/c1-17(21-14-18-6-2-3-8-20(18)28-21)24-22(27)16-26-12-10-25(11-13-26)15-19-7-4-5-9-23-19/h2-9,14,17H,10-13,15-16H2,1H3,(H,24,27)/p+1/t17-/m0/s1