6,6,7-trimethyl-3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 6,6,7-trimethyl-3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 3-isobutylsulfanyl-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 6,6,7-trimethyl-3-(2-methylpropylthio)-1-(4-morpholinyl)-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 6,6,7-trimethyl-3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-(isobutylthio)-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C20H32N4OS+2 MolecularWeight: 376.55928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=[NH+]C(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

Isomeric SMILES

CC(C)CSC1=[NH+]C(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

InChI

InChI=1S/C20H30N4OS/c1-14(2)13-26-19-16(11-21)15-10-20(3,4)23(5)12-17(15)18(22-19)24-6-8-25-9-7-24/h14H,6-10,12-13H2,1-5H3/p+2