(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-phenyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)-1-pyrrolidino-ethanone Formula: C24H31N3O3+2 MolecularWeight: 409.52124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O3/c28-24(27-10-4-5-11-27)23(20-6-2-1-3-7-20)26-14-12-25(13-15-26)17-19-8-9-21-22(16-19)30-18-29-21/h1-3,6-9,16,23H,4-5,10-15,17-18H2/p+2/t23-/m1/s1