2-isoquinolin-1-ylsulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-(1-isoquinolylsulfanyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-(1-isoquinolinylthio)-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-isoquinolin-1-ylsulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-(1-isoquinolylthio)-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CSC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CSC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C16H20N4OS/c1-19-8-10-20(11-9-19)18-15(21)12-22-16-14-5-3-2-4-13(14)6-7-17-16/h2-7H,8-12H2,1H3,(H,18,21)/p+1