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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(thiazol-4-ylmethylthio)benzamide Formula: C21H23N4O2S2+ MolecularWeight: 427.56292

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C21H22N4O2S2/c26-21(18-3-1-2-4-19(18)29-14-17-13-28-15-24-17)23-12-16-5-6-20(22-11-16)25-7-9-27-10-8-25/h1-6,11,13,15H,7-10,12,14H2,(H,23,26)/p+1