1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]phenyl]-2-pyrrolidone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O4/c28-23-2-1-9-27(23)20-6-3-18(4-7-20)15-24(29)26-12-10-25(11-13-26)16-19-5-8-21-22(14-19)31-17-30-21/h3-8,14H,1-2,9-13,15-17H2/p+1