2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C25H26N5O2S+ MolecularWeight: 460.57124

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H25N5O2S/c31-24(27-16-18-9-10-23(26-15-18)30-11-13-32-14-12-30)20-6-2-1-5-19(20)17-33-25-28-21-7-3-4-8-22(21)29-25/h1-10,15H,11-14,16-17H2,(H,27,31)(H,28,29)/p+1