1-[1-ethyl-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[1-ethyl-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[1-ethyl-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[1-ethyl-6-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[1-ethyl-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[1-ethyl-6-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)-2-thioxo-pyrimidin-5-yl]ethanone Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C(=NC1=S)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)C)C

InChI

InChI=1S/C18H23N5OS/c1-4-23-13(2)16(14(3)24)17(20-18(23)25)22-11-9-21(10-12-22)15-7-5-6-8-19-15/h5-8H,4,9-12H2,1-3H3/p+1