7,11-dicyano-3-ethoxycarbonyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium

Systemtic Name: 7,11-dicyano-3-ethoxycarbonyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium Openeye Name: 7,11-dicyano-3-ethoxycarbonyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium CAS Name: 7,11-dicyano-3-ethoxycarbonyl-10-mercapto-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium IUPAC Name: 7,11-dicyano-3-ethoxycarbonyl-10-sulfanyl-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium Traditional Name: 3-carbethoxy-7,11-dicyano-10-mercapto-3,9-diazaspiro[5.5]undeca-8,10-dien-8-olate; 1-methylpiperidin-1-ium Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N.C[NH+]1CCCCC1

Isomeric SMILES

CCOC(=O)N1CCC2(CC1)C(C(=NC(=C2C#N)S)[O-])C#N.C[NH+]1CCCCC1

InChI

InChI=1S/C14H16N4O3S.C6H13N/c1-2-21-13(20)18-5-3-14(4-6-18)9(7-15)11(19)17-12(22)10(14)8-16;1-7-5-3-2-4-6-7/h9,22H,2-6H2,1H3,(H,17,19);2-6H2,1H3