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

Systemtic Name: 3-butylsulfanyl-6,6,7-trimethyl-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 3-butylsulfanyl-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 3-(butylthio)-6,6,7-trimethyl-1-(4-morpholinyl)-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 3-butylsulfanyl-6,6,7-trimethyl-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-(butylthio)-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:

CCCCSC1=[NH+]C(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

Isomeric SMILES

CCCCSC1=[NH+]C(=C2C[NH+](C(CC2=C1C#N)(C)C)C)N3CCOCC3

InChI

InChI=1S/C20H30N4OS/c1-5-6-11-26-19-16(13-21)15-12-20(2,3)23(4)14-17(15)18(22-19)24-7-9-25-10-8-24/h5-12,14H2,1-4H3/p+2