(4R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(furan-2-ylmethyl)pyrrolidin-2-one

Systemtic Name: (4R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(furan-2-ylmethyl)pyrrolidin-2-one Openeye Name: (4R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(2-furylmethyl)pyrrolidin-2-one CAS Name: (4R)-4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-(2-furanylmethyl)-2-pyrrolidinone IUPAC Name: (4R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one Traditional Name: (4R)-1-(2-furfuryl)-4-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-pyrrolidone Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)N(C4)CC5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)[C@@H]4CC(=O)N(C4)CC5=CC=CO5

InChI

InChI=1S/C22H25N3O5/c26-21-11-17(13-25(21)14-18-2-1-9-28-18)22(27)24-7-5-23(6-8-24)12-16-3-4-19-20(10-16)30-15-29-19/h1-4,9-10,17H,5-8,11-15H2/p+1/t17-/m1/s1