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

Systemtic Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-(4-piperonylpiperazin-1-ium-1-yl)acetyl]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)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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