2-(3-ethanoylpyridin-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(3-ethanoylpyridin-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-16-8-9-19(29(27,28)24-11-4-3-5-12-24)13-20(16)22-21(26)15-23-10-6-7-18(14-23)17(2)25/h6-10,13-14H,3-5,11-12,15H2,1-2H3/p+1