N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(2-thenylthio)benzamide Formula: C22H24N3O2S2+ MolecularWeight: 426.57486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C22H23N3O2S2/c26-22(19-5-1-2-6-20(19)29-16-18-4-3-13-28-18)24-15-17-7-8-21(23-14-17)25-9-11-27-12-10-25/h1-8,13-14H,9-12,15-16H2,(H,24,26)/p+1