7,11-dicyano-3-ethanoyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium

Systemtic Name: 7,11-dicyano-3-ethanoyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium Openeye Name: 3-acetyl-7,11-dicyano-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium CAS Name: 3-acetyl-7,11-dicyano-10-mercapto-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium IUPAC Name: 3-acetyl-7,11-dicyano-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium Traditional Name: 3-acetyl-7,11-dicyano-10-mercapto-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N.C[NH+]1CCOCC1

Isomeric SMILES

CC(=O)N1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N.C[NH+]1CCOCC1

InChI

InChI=1S/C13H14N4O2S.C5H11NO/c1-8(18)17-4-2-13(3-5-17)9(6-14)11(19)16-12(20)10(13)7-15;1-6-2-4-7-5-3-6/h9,20H,2-5H2,1H3,(H,16,19);2-5H2,1H3