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

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H23N3O2S2/c24-19(16-2-4-17(5-3-16)20-26-11-12-27-20)22-14-15-1-6-18(21-13-15)23-7-9-25-10-8-23/h1-6,13,20H,7-12,14H2,(H,22,24)/p+1