N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[methyl-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C22H31N4O6S+ MolecularWeight: 479.56974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)OCC

InChI

InChI=1S/C22H30N4O6S/c1-4-31-19-8-6-17(14-20(19)32-5-2)24-22(27)16-25(3)21-9-7-18(15-23-21)33(28,29)26-10-12-30-13-11-26/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,24,27)/p+1