7-methyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 7-methyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-methyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-3-[2-(4-morpholin-4-iumyl)ethylthio]-1-(4-morpholinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-methyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-methyl-3-(2-morpholin-4-ium-4-ylethylthio)-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C20H32N5O2S+3 MolecularWeight: 406.56538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC[NH+]4CCOCC4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C20H29N5O2S/c1-23-3-2-16-17(14-21)20(28-13-8-24-4-9-26-10-5-24)22-19(18(16)15-23)25-6-11-27-12-7-25/h2-13,15H2,1H3/p+3