2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H23N5O2S/c1-29-18-7-5-17(6-8-18)19-9-11-24-22(25-19)30-16-21(28)27-14-12-26(13-15-27)20-4-2-3-10-23-20/h2-11H,12-16H2,1H3/p+1