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

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16-8-7-11-23(18(16)3)15-21(25)22-19-10-9-17(2)20(14-19)28(26,27)24-12-5-4-6-13-24/h7-11,14H,4-6,12-13,15H2,1-3H3/p+1