2-isoquinolin-1-ylsulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(1-isoquinolylsulfanyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(1-isoquinolinylthio)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-isoquinolin-1-ylsulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(1-isoquinolylthio)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3OS/c1-18-8-10-19(11-9-18)15(20)12-21-16-14-5-3-2-4-13(14)6-7-17-16/h2-7H,8-12H2,1H3/p+1