3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C19H25N5OS/c1-14-17(15(2)22-19(21-14)26-3)4-5-18(25)24-12-10-23(11-13-24)16-6-8-20-9-7-16/h6-9H,4-5,10-13H2,1-3H3/p+1