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

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c23-17(13-27-16-5-3-15(4-6-16)22(24)25)20-12-14-2-1-7-19-18(14)21-8-10-26-11-9-21/h1-7H,8-13H2,(H,20,23)/p+1