N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(2-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(2-methoxy-5-piperidinosulfonyl-phenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C20H25N3O4S/c1-16-8-4-7-11-22(16)15-20(24)21-18-14-17(9-10-19(18)27-2)28(25,26)23-12-5-3-6-13-23/h4,7-11,14H,3,5-6,12-13,15H2,1-2H3/p+1