7,11-dicyano-10-sulfanyl-9-azaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium

Systemtic Name: 7,11-dicyano-10-sulfanyl-9-azaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium Openeye Name: 7,11-dicyano-10-sulfanyl-9-azaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium CAS Name: 7,11-dicyano-10-mercapto-9-azaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium IUPAC Name: 7,11-dicyano-10-sulfanyl-9-azaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium Traditional Name: 7,11-dicyano-10-mercapto-9-azaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1.C1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N

Isomeric SMILES

C[NH+]1CCCCC1.C1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N

InChI

InChI=1S/C12H13N3OS.C6H13N/c13-6-8-10(16)15-11(17)9(7-14)12(8)4-2-1-3-5-12;1-7-5-3-2-4-6-7/h8,17H,1-5H2,(H,15,16);2-6H2,1H3