N-(3-phenylsulfanylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-phenylsulfanylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-phenylsulfanylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(phenylthio)propyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-phenylsulfanylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(phenylthio)propyl]-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:

C1CN(CC[NH+]1CC(=O)NCCCSC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCSC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5OS/c25-18(20-10-5-15-26-17-6-2-1-3-7-17)16-23-11-13-24(14-12-23)19-21-8-4-9-22-19/h1-4,6-9H,5,10-16H2,(H,20,25)/p+1