N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Formula: C18H21ClN3O4S+ MolecularWeight: 410.89504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C18H20ClN3O4S/c19-16-7-6-15(27(25,26)22-9-2-1-3-10-22)11-17(16)20-18(24)13-21-8-4-5-14(23)12-21/h4-8,11-12H,1-3,9-10,13H2,(H-,20,23,24)/p+1