2-[(4-cyano-7-methyl-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]ethyl-dimethyl-azanium

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]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyano-7-methyl-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[4-cyano-7-methyl-1-(4-morpholinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl]thio]ethyl-dimethylammonium 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]ethyl-dimethylazanium Traditional Name: 2-[(4-cyano-7-methyl-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)thio]ethyl-dimethyl-ammonium Formula: C18H30N5OS+3 MolecularWeight: 364.5287

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC[NH+](C)C)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC[NH+](C)C)C#N

InChI

InChI=1S/C18H27N5OS/c1-21(2)8-11-25-18-15(12-19)14-4-5-22(3)13-16(14)17(20-18)23-6-9-24-10-7-23/h4-11,13H2,1-3H3/p+3