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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethanone Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C18H20N2O3S/c21-18(11-15-2-1-9-24-15)20-7-5-19(6-8-20)12-14-3-4-16-17(10-14)23-13-22-16/h1-4,9-10H,5-8,11-13H2/p+1