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

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C19H20N4O2S/c1-23-8-7-17-14(11-23)9-13(10-20)19(22-17)26-12-18(24)21-15-3-5-16(25-2)6-4-15/h3-6,9H,7-8,11-12H2,1-2H3,(H,21,24)/p+1