2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-(phenoxymethyl)-2-furoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O4/c26-21(24-10-4-5-11-24)16-23-12-14-25(15-13-23)22(27)20-9-8-19(29-20)17-28-18-6-2-1-3-7-18/h1-3,6-9H,4-5,10-17H2/p+1