methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5OS/c1-22(14-16-4-6-17(26-2)7-5-16)15-18(25)23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,10-15H2,1-2H3/p+1