1-cyclopentyl-4-[2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one

Systemtic Name: 1-cyclopentyl-4-[2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one Openeye Name: 1-cyclopentyl-4-[2-[(2R)-1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazin-2-one CAS Name: 1-cyclopentyl-4-[2-[(2R)-1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-2-piperazinone IUPAC Name: 1-cyclopentyl-4-[2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetyl]piperazin-2-one Traditional Name: 1-cyclopentyl-4-[2-[(2R)-1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]acetyl]piperazin-2-one Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2=O)C(=O)CC3C(=O)NCC[NH+]3CC4=COC=C4

Isomeric SMILES

C1CCC(C1)N2CCN(CC2=O)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=COC=C4

InChI

InChI=1S/C20H28N4O4/c25-18(23-8-9-24(19(26)13-23)16-3-1-2-4-16)11-17-20(27)21-6-7-22(17)12-15-5-10-28-14-15/h5,10,14,16-17H,1-4,6-9,11-13H2,(H,21,27)/p+1/t17-/m1/s1