2-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1H-quinazolin-4-one Formula: C19H20N3O+ MolecularWeight: 306.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H19N3O/c1-13(22-11-10-14-6-2-3-7-15(14)12-22)18-20-17-9-5-4-8-16(17)19(23)21-18/h2-9,13H,10-12H2,1H3,(H,20,21,23)/p+1/t13-/m1/s1