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

Systemtic Name: 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-3-24-9-8-18-15(12-24)10-14(11-21)20(23-18)27-13-19(25)22-16-4-6-17(26-2)7-5-16/h4-7,10H,3,8-9,12-13H2,1-2H3,(H,22,25)/p+1