2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]acetamide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C[NH+](CC3)C)C=C2C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C[NH+](CC3)C)C=C2C#N

InChI

InChI=1S/C20H20N4O2S/c1-13(25)14-3-5-17(6-4-14)22-19(26)12-27-20-15(10-21)9-16-11-24(2)8-7-18(16)23-20/h3-6,9H,7-8,11-12H2,1-2H3,(H,22,26)/p+1