2-[(4-cyano-7-methyl-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(4-cyano-7-methyl-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-cyano-7-methyl-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cyano-7-methyl-1-(4-morpholinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[(4-cyano-7-methyl-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-cyano-7-methyl-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)thio]-N-phenethyl-acetamide Formula: C24H31N5O2S+2 MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC(=O)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC(=O)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H29N5O2S/c1-28-10-8-19-20(15-25)24(27-23(21(19)16-28)29-11-13-31-14-12-29)32-17-22(30)26-9-7-18-5-3-2-4-6-18/h2-6H,7-14,16-17H2,1H3,(H,26,30)/p+2