N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(p-tolylthio)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5OS/c1-16-3-5-17(6-4-16)26-14-9-20-18(25)15-23-10-12-24(13-11-23)19-21-7-2-8-22-19/h2-8H,9-15H2,1H3,(H,20,25)/p+1