2-(4-ethoxyphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(p-phenetylthio)acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-17-4-6-18(7-5-17)27-15-20(24)22-14-16-3-8-19(21-13-16)23-9-11-25-12-10-23/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,24)/p+1