N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(2-benzofuranyl)ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H19N3O3/c1-11(14-8-12-4-2-3-5-13(12)22-14)18-16(21)10-19-7-6-17-15(20)9-19/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,20)(H,18,21)/p+1/t11-/m1/s1