2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[3-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(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=C(C=CO3)COC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

InChI

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