1-(1,3-benzodioxol-5-yl)-2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]ethanone Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC=C2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O3S/c1-21-6-8-22(9-7-21)17-4-5-19-18(20-17)26-11-14(23)13-2-3-15-16(10-13)25-12-24-15/h2-5,10H,6-9,11-12H2,1H3/p+1