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

Systemtic Name: 1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-(4-piperonylpiperazin-4-ium-1-carbonyl)-2-thienyl]ethanone Formula: C19H21N2O4S+ MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O4S/c1-13(22)17-4-5-18(26-17)19(23)21-8-6-20(7-9-21)11-14-2-3-15-16(10-14)25-12-24-15/h2-5,10H,6-9,11-12H2,1H3/p+1