N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(2-benzofuranyl)ethyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-16(21-14-17-4-2-3-5-20(17)28-21)23-22(27)15-24-10-12-25(13-11-24)18-6-8-19(26)9-7-18/h2-9,14,16,26H,10-13,15H2,1H3,(H,23,27)/p+1/t16-/m1/s1