2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC)C

InChI

InChI=1S/C21H27N3O4S/c1-16-8-7-11-23(17(16)2)15-21(25)22-19-14-18(9-10-20(19)28-3)29(26,27)24-12-5-4-6-13-24/h7-11,14H,4-6,12-13,15H2,1-3H3/p+1