N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(4-methylpyridin-1-ium-1-yl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(4-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-16-8-12-22(13-9-16)15-20(24)21-19-14-18(7-6-17(19)2)27(25,26)23-10-4-3-5-11-23/h6-9,12-14H,3-5,10-11,15H2,1-2H3/p+1