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

Systemtic Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C24H34N5OS+ MolecularWeight: 440.62466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H33N5OS/c1-31-24-25-17-21(18-26-24)19-27-11-9-20(10-12-27)7-8-23(30)29-15-13-28(14-16-29)22-5-3-2-4-6-22/h2-6,17-18,20H,7-16,19H2,1H3/p+1