1-hexyl-6-oxidanyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1-hexyl-6-oxidanyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1-hexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1-hexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-hexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1-hexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C19H26N3O3+ MolecularWeight: 344.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=O)NC1=O)C2C3=CC=CC=C3CC[NH2+]2)O

Isomeric SMILES

CCCCCCN1C(=C(C(=O)NC1=O)[C@@H]2C3=CC=CC=C3CC[NH2+]2)O

InChI

InChI=1S/C19H25N3O3/c1-2-3-4-7-12-22-18(24)15(17(23)21-19(22)25)16-14-9-6-5-8-13(14)10-11-20-16/h5-6,8-9,16,20,24H,2-4,7,10-12H2,1H3,(H,21,23,25)/p+1/t16-/m0/s1