2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H26N5O2S+ MolecularWeight: 436.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H25N5O2S/c1-17-15-20(18-6-8-19(30-2)9-7-18)26-23(25-17)31-16-22(29)28-13-11-27(12-14-28)21-5-3-4-10-24-21/h3-10,15H,11-14,16H2,1-2H3/p+1