N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-(2-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC=C2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC=C2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O3S/c1-16-9-10-18(21-20(24)15-22-11-7-4-8-17(22)2)14-19(16)27(25,26)23-12-5-3-6-13-23/h4,7-11,14H,3,5-6,12-13,15H2,1-2H3/p+1