(7S)-7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate

Systemtic Name: (7S)-7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Openeye Name: (7S)-7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate CAS Name: (7S)-7,11-dicyano-10-mercapto-3-propyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate IUPAC Name: (7S)-7,11-dicyano-3-propyl-10-sulfanyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Traditional Name: (7S)-7,11-dicyano-10-mercapto-3-propyl-9-aza-3-azoniaspiro[5.5]undeca-8,10-dien-8-olate Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4OS/c1-2-5-18-6-3-14(4-7-18)10(8-15)12(19)17-13(20)11(14)9-16/h10,20H,2-7H2,1H3,(H,17,19)/t10-/m0/s1