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

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-(3-methylpyridin-1-ium-1-yl)acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(3-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-(3-methylpyridin-1-ium-1-yl)acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[N+]2=CC=CC(=C2)C)S(=O)(=O)N3CCCCC3

InChI

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