4-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzenesulfonamide Formula: C17H21N4O5S+ MolecularWeight: 393.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-13-2-4-15(10-16(13)21(22)23)27(24,25)19-12-14-3-5-17(18-11-14)20-6-8-26-9-7-20/h2-5,10-11,19H,6-9,12H2,1H3/p+1