N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C18H21N3O5S/c1-14-4-5-16(27(24,25)21-7-9-26-10-8-21)11-17(14)19-18(23)13-20-6-2-3-15(22)12-20/h2-6,11-12H,7-10,13H2,1H3,(H-,19,22,23)/p+1