2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole Formula: C19H21N2O3+ MolecularWeight: 325.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C19H20N2O3/c1-22-17-9-13-7-8-21(11-14(13)10-18(17)23-2)12-19-20-15-5-3-4-6-16(15)24-19/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1