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

Systemtic Name: 7,11-dicyano-3-methyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium Openeye Name: 7,11-dicyano-3-methyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium CAS Name: 7,11-dicyano-10-mercapto-3-methyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium IUPAC Name: 7,11-dicyano-3-methyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium Traditional Name: 7,11-dicyano-10-mercapto-3-methyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholin-4-ium Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.CN1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N

Isomeric SMILES

C[NH+]1CCOCC1.CN1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N

InChI

InChI=1S/C12H14N4OS.C5H11NO/c1-16-4-2-12(3-5-16)8(6-13)10(17)15-11(18)9(12)7-14;1-6-2-4-7-5-3-6/h8,18H,2-5H2,1H3,(H,15,17);2-5H2,1H3