(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: (2R)-2-(3-hydroxy-1-pyridin-1-iumyl)-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholinosulfonylphenyl)propionamide Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)[N+]3=CC=CC(=C3)O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C18H21N3O5S/c1-14(20-8-2-3-16(22)13-20)18(23)19-15-4-6-17(7-5-15)27(24,25)21-9-11-26-12-10-21/h2-8,13-14H,9-12H2,1H3,(H-,19,22,23)/p+1/t14-/m1/s1