7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholine

Systemtic Name: 7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholine Openeye Name: 7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholine CAS Name: 7,11-dicyano-10-mercapto-3-propyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholine IUPAC Name: 7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholine Traditional Name: 7,11-dicyano-10-mercapto-3-propyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate; 4-methylmorpholine Formula: C19H29N5O2S MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N.CN1CCOCC1

Isomeric SMILES

CCC[NH+]1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N.CN1CCOCC1

InChI

InChI=1S/C14H18N4OS.C5H11NO/c1-2-5-18-6-3-14(4-7-18)10(8-15)12(19)17-13(20)11(14)9-16;1-6-2-4-7-5-3-6/h10,20H,2-7H2,1H3,(H,17,19);2-5H2,1H3