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

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(2-naphthylsulfanyl)acetamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-(2-naphthalenylthio)acetamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(2-naphthylthio)acetamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H21N3OS/c1-19-8-10-20(11-9-19)18-17(21)13-22-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3,(H,18,21)/p+1