8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidin-1-iumylidene)-3-methyl-7-octyl-5H-purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-3-methyl-7-octyl-5H-purine-2,6-quinone Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CC(CC(C3)C)C)C

Isomeric SMILES

CCCCCCCCN1C2C(=O)NC(=O)N(C2=NC1=[N+]3CC(CC(C3)C)C)C

InChI

InChI=1S/C21H35N5O2/c1-5-6-7-8-9-10-11-26-17-18(24(4)21(28)23-19(17)27)22-20(26)25-13-15(2)12-16(3)14-25/h15-17H,5-14H2,1-4H3/p+1