4-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperazin-2-one

Systemtic Name: 4-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperazin-2-one Openeye Name: 4-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperazin-2-one CAS Name: 4-[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-2-piperazinone IUPAC Name: 4-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperazin-2-one Traditional Name: 4-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperazin-2-one Formula: C14H18N3O2+ MolecularWeight: 260.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C14H17N3O2/c18-13-9-17(6-5-15-13)14(19)12-7-10-3-1-2-4-11(10)8-16-12/h1-4,12,16H,5-9H2,(H,15,18)/p+1/t12-/m1/s1