1,3,7-trimethyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1-piperidin-1-iumylidene)-9H-purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-piperidin-1-ium-1-ylidene-9H-purine-2,6-quinone Formula: C13H20N5O2+ MolecularWeight: 278.3302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=[N+]3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(NC1=[N+]3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H19N5O2/c1-15-9-10(16(2)13(20)17(3)11(9)19)14-12(15)18-7-5-4-6-8-18/h4-8H2,1-3H3/p+1