3-(2-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(o-tolyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(o-tolyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2,4-oxadiazole Formula: C19H20N3O+ MolecularWeight: 306.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCC4=CC=CC=C4C3

InChI

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