7,11-dicyano-11-phenacyl-8-sulfanyl-9-azaspiro[5.5]undeca-7,9-dien-10-olate; 4-methylmorpholin-4-ium

Systemtic Name: 7,11-dicyano-11-phenacyl-8-sulfanyl-9-azaspiro[5.5]undeca-7,9-dien-10-olate; 4-methylmorpholin-4-ium Openeye Name: 7,11-dicyano-11-phenacyl-8-sulfanyl-9-azaspiro[5.5]undeca-7,9-dien-10-olate; 4-methylmorpholin-4-ium CAS Name: 7,11-dicyano-8-mercapto-11-phenacyl-9-azaspiro[5.5]undeca-7,9-dien-10-olate; 4-methylmorpholin-4-ium IUPAC Name: 7,11-dicyano-11-phenacyl-8-sulfanyl-9-azaspiro[5.5]undeca-7,9-dien-10-olate; 4-methylmorpholin-4-ium Traditional Name: 7,11-dicyano-8-mercapto-11-phenacyl-9-azaspiro[5.5]undeca-7,9-dien-10-olate; 4-methylmorpholin-4-ium Formula: C25H30N4O3S MolecularWeight: 466.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCOCC1.C1CCC2(CC1)C(=C(N=C(C2(CC(=O)C3=CC=CC=C3)C#N)[O-])S)C#N

Isomeric SMILES

C[NH+]1CCOCC1.C1CCC2(CC1)C(=C(N=C(C2(CC(=O)C3=CC=CC=C3)C#N)[O-])S)C#N

InChI

InChI=1S/C20H19N3O2S.C5H11NO/c21-12-15-17(26)23-18(25)20(13-22,19(15)9-5-2-6-10-19)11-16(24)14-7-3-1-4-8-14;1-6-2-4-7-5-3-6/h1,3-4,7-8,26H,2,5-6,9-11H2,(H,23,25);2-5H2,1H3