1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]propan-1-one Formula: C19H33N5OS+2 MolecularWeight: 379.56322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H31N5OS/c1-22-8-10-24(11-9-22)18(25)6-5-16-4-3-7-23(14-16)15-17-12-20-19(26-2)21-13-17/h12-13,16H,3-11,14-15H2,1-2H3/p+2/t16-/m1/s1