2-tert-butylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]ethanamide

Systemtic Name: 2-tert-butylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]ethanamide Openeye Name: 2-tert-butylsulfanyl-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]acetamide CAS Name: 2-(tert-butylthio)-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-tert-butylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]acetamide Traditional Name: 2-(tert-butylthio)-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]acetamide Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NCC1=CC(=[NH+]C=C1)N2CCOCC2

Isomeric SMILES

CC(C)(C)SCC(=O)NCC1=CC(=[NH+]C=C1)N2CCOCC2

InChI

InChI=1S/C16H25N3O2S/c1-16(2,3)22-12-15(20)18-11-13-4-5-17-14(10-13)19-6-8-21-9-7-19/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,20)/p+1