3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-benzoxazol-2-one Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4OC3=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C4=CC=CC=C4OC3=O)OCC

InChI

InChI=1S/C21H24N2O4/c1-3-25-19-11-15-9-10-22(13-16(15)12-20(19)26-4-2)14-23-17-7-5-6-8-18(17)27-21(23)24/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3/p+1