2-ethylsulfanyl-N-[2-[3-(4-methylpiperazin-4-ium-1-yl)phenoxy]ethyl]ethanamide

Systemtic Name: 2-ethylsulfanyl-N-[2-[3-(4-methylpiperazin-4-ium-1-yl)phenoxy]ethyl]ethanamide Openeye Name: 2-ethylsulfanyl-N-[2-[3-(4-methylpiperazin-4-ium-1-yl)phenoxy]ethyl]acetamide CAS Name: 2-(ethylthio)-N-[2-[3-(4-methyl-1-piperazin-4-iumyl)phenoxy]ethyl]acetamide IUPAC Name: 2-ethylsulfanyl-N-[2-[3-(4-methylpiperazin-4-ium-1-yl)phenoxy]ethyl]acetamide Traditional Name: 2-(ethylthio)-N-[2-[3-(4-methylpiperazin-4-ium-1-yl)phenoxy]ethyl]acetamide Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)NCCOC1=CC=CC(=C1)N2CC[NH+](CC2)C

Isomeric SMILES

CCSCC(=O)NCCOC1=CC=CC(=C1)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N3O2S/c1-3-23-14-17(21)18-7-12-22-16-6-4-5-15(13-16)20-10-8-19(2)9-11-20/h4-6,13H,3,7-12,14H2,1-2H3,(H,18,21)/p+1