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

Systemtic Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(2-benzofuranyl)ethyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H24N4O2/c1-16(19-14-17-6-2-3-7-18(17)27-19)23-21(26)15-24-10-12-25(13-11-24)20-8-4-5-9-22-20/h2-9,14,16H,10-13,15H2,1H3,(H,23,26)/p+1/t16-/m0/s1