N3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzene-1,3-disulfonamide Openeye Name: N3-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzene-1,3-disulfonamide CAS Name: N3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzene-1,3-disulfonamide Traditional Name: N'-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzene-1,3-disulfonamide Formula: C16H21N4O5S2+ MolecularWeight: 413.49174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C16H20N4O5S2/c17-26(21,22)14-2-1-3-15(10-14)27(23,24)19-12-13-4-5-16(18-11-13)20-6-8-25-9-7-20/h1-5,10-11,19H,6-9,12H2,(H2,17,21,22)/p+1