5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate

Systemtic Name: 5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate Openeye Name: 5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate CAS Name: 5-cyano-3,3-dimethyl-8-(1-piperazin-4-iumyl)-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate IUPAC Name: 5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate Traditional Name: 5-cyano-3,3-dimethyl-8-piperazin-4-ium-1-yl-1,4-dihydropyrano[3,4-c]pyridine-6-thiolate Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)[S-])C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2CO1)N3CC[NH2+]CC3)[S-])C#N)C

InChI

InChI=1S/C15H20N4OS/c1-15(2)7-10-11(8-16)14(21)18-13(12(10)9-20-15)19-5-3-17-4-6-19/h17H,3-7,9H2,1-2H3,(H,18,21)