8-(3-ethoxypropylamino)-3-methyl-7-octyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 8-(3-ethoxypropylamino)-3-methyl-7-octyl-5H-purin-7-ium-2,6-dione Openeye Name: 8-(3-ethoxypropylamino)-3-methyl-7-octyl-5H-purin-7-ium-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-3-methyl-7-octyl-5H-purin-7-ium-2,6-dione IUPAC Name: 8-(3-ethoxypropylamino)-3-methyl-7-octyl-5H-purin-7-ium-2,6-dione Traditional Name: 8-(3-ethoxypropylamino)-3-methyl-7-octyl-5H-purin-7-ium-2,6-quinone Formula: C19H34N5O3+ MolecularWeight: 380.50496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCCOCC

Isomeric SMILES

CCCCCCCC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCCOCC

InChI

InChI=1S/C19H33N5O3/c1-4-6-7-8-9-10-13-24-15-16(23(3)19(26)22-17(15)25)21-18(24)20-12-11-14-27-5-2/h15H,4-14H2,1-3H3,(H,22,25,26)/p+1