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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[methyl-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H26N4O4S/c1-15-4-5-16(2)18(12-15)22-20(25)14-23(3)19-7-6-17(13-21-19)29(26,27)24-8-10-28-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+1