ethyl 2-[(4-cyano-6,6,7-trimethyl-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridin-7-ium-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-cyano-6,6,7-trimethyl-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridin-7-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-cyano-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridin-7-ium-3-yl)sulfanyl]acetate CAS Name: 2-[[4-cyano-6,6,7-trimethyl-1-(4-morpholinyl)-7,8-dihydro-5H-2,7-naphthyridin-7-ium-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyano-6,6,7-trimethyl-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridin-7-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-cyano-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridin-7-ium-3-yl)thio]acetic acid ethyl ester Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

InChI

InChI=1S/C20H28N4O3S/c1-5-27-17(25)13-28-19-15(11-21)14-10-20(2,3)23(4)12-16(14)18(22-19)24-6-8-26-9-7-24/h5-10,12-13H2,1-4H3/p+1