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

Systemtic Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazole-2-thione Formula: C19H21N2O3S+ MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4OC3=S)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4OC3=S)OC

InChI

InChI=1S/C19H20N2O3S/c1-22-17-9-13-7-8-20(11-14(13)10-18(17)23-2)12-21-15-5-3-4-6-16(15)24-19(21)25/h3-6,9-10H,7-8,11-12H2,1-2H3/p+1