1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C22H29N3O3S+2 MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C22H27N3O3S/c26-22(15-25-7-1-3-18(25)21-4-2-12-29-21)24-10-8-23(9-11-24)14-17-5-6-19-20(13-17)28-16-27-19/h2,4-6,12-13,18H,1,3,7-11,14-16H2/p+2/t18-/m1/s1