6,6,7-trimethyl-1-morpholin-4-yl-3-propan-2-ylsulfanyl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 6,6,7-trimethyl-1-morpholin-4-yl-3-propan-2-ylsulfanyl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 3-isopropylsulfanyl-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 6,6,7-trimethyl-1-(4-morpholinyl)-3-(propan-2-ylthio)-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 6,6,7-trimethyl-1-morpholin-4-yl-3-propan-2-ylsulfanyl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-(isopropylthio)-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C19H30N4OS+2 MolecularWeight: 362.5327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=[NH+]C(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

Isomeric SMILES

CC(C)SC1=[NH+]C(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

InChI

InChI=1S/C19H28N4OS/c1-13(2)25-18-15(11-20)14-10-19(3,4)22(5)12-16(14)17(21-18)23-6-8-24-9-7-23/h13H,6-10,12H2,1-5H3/p+2