2-[4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(phenoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[3-(phenoxymethyl)-2-benzofuranyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(phenoxymethyl)benzofuran-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O4/c30-24(28-12-6-7-13-28)18-27-14-16-29(17-15-27)26(31)25-22(19-32-20-8-2-1-3-9-20)21-10-4-5-11-23(21)33-25/h1-5,8-11H,6-7,12-19H2/p+1